5-FURAN-2-YL-1,3,4-옥사디아졸-2-일라민

5-(Furan-2-yl)-1,3,4-oxadiazol-2-amine

HCID 202185CAS 7659-06-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1nnc(-c2ccco2)o1
InChIKey: RNARLYVZVOWYHW-UHFFFAOYSA-N
분자식: C6H5N3O2
평균 분자량: 151.12 g/mol
단동위원소 질량: 151.0381764

이름 및 식별자

우선 이름: 5-(Furan-2-yl)-1,3,4-oxadiazol-2-amine
IUPAC: 5-(furan-2-yl)-1,3,4-oxadiazol-2-amine
현지명: 5-FURAN-2-YL-1,3,4-옥사디아졸-2-일라민
영어명: 5-Furan-2-yl-1,3,4-oxadiazol-2-ylamine
분자식: C6H5N3O2
분자량: 151.12

이름 및 동의어

5-(furan-2-yl)-1,3,4-oxadiazol-2-amineRefChem:531262671-513-07659-06-55-Furan-2-yl-1,3,4-oxadiazol-2-ylamine5-(2-furyl)-1,3,4-oxadiazol-2-amineMFCD01710630BRN 01462572-Amino-5-(2-furyl)-1,3,4-oxadiazole2-Amino-5-(2-Furanyl)-1,3,4-oxadiazole2-Amino-5-furan-1,3,4-oxadiazole1,3,4-Oxadiazole, 2-amino-5-(2-furyl)-

이름 더 보기

5-FURAN-2-YL-1,3,4-옥사디아졸-2-일라민5-(Furan-2-yl)4-oxadiazole,2-amino-5-(2-furyl)-35-(2-Furanyl)-1,3,4-oxadiazol-2-amine5-(2-Furanyl)-1,3,4-oxadiazole-2-amine1,3,4-Oxadiazol-2-amine, 5-(2-furanyl)-

HMS1748M09F2146-0060AKOS000117892SB61346CS-00328125-(2-furyl)-1,3,4-oxadiazole-2-ylamineSCHEMBL1852694DTXSID40227390

데이터베이스 식별자

CAS: 7659-06-5
PubChem CID: 202185
DTXSID: DTXSID40227390
EC Number: 671-513-0
Nikkaji: J42.559A

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 78.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 144

물리화학적 성질

녹는점: 225 · 225-226 °C
끓는 점: 318.5 · 318.5±34.0 °C(Predicted)
밀도: 1.385 · 1.385±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): -1.53 · -1.53±0.13(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

안전 데이터

HS 번호: 2934999090
risk_code: 22-36
hazard_code: Xn
safety_code: 26

화학 및 산업

응용 분야 · 1건

용도5-Furan-2-yl-1,3,4-oxadiazol-2-ylamine, can be used in the synthesis of various chemical compounds having therapeutic activity, such as N-[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-4-quinolinecarboxamide (F863670), a small molecular inhibitor of STAT3, a cancer therapeutic agent against Glioblastoma multiforme tumor cells, and a drug target.