(5-tert-부틸-이속사졸-3-일)-카르바산페닐에스테르,(5-tert-부틸이속사졸-3-일)카르바산페닐에스테르

Phenyl 5-tert-butylisoxazol-3-ylcarbamate

HCID 13489605CAS 81479-48-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)c1cc(NC(=O)Oc2ccccc2)no1
InChIKey: FGUDMROYDQCCNY-UHFFFAOYSA-N
분자식: C14H16N2O3
평균 분자량: 260.29 g/mol
단동위원소 질량: 260.11609237

이름 및 식별자

우선 이름: Phenyl 5-tert-butylisoxazol-3-ylcarbamate
IUPAC: phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
현지명: (5-tert-부틸-이속사졸-3-일)-카르바산페닐에스테르,(5-tert-부틸이속사졸-3-일)카르바산페닐에스테르
영어명: (5-tert-butyl-isoxazol-3-yl)-carbaMic acid phenyl ester, (5-tert-butylisoxazol-3-yl)carbaMic acid phenyl ester
분자식: C14H16N2O3
분자량: 260.29

이름 및 동의어

81479-48-3phenyl (5-(tert-butyl)isoxazol-3-yl)carbamatePhenyl 5-tert-butylisoxazol-3-ylcarbamatePHENYL N-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)CARBAMATEPhenyl [5-(tert-Butyl)isoxazol-3-yl]carbamatePhenyl (5-tert-butylisoxazol-3-yl)carbamateSCHEMBL769541DTXSID20542058FGUDMROYDQCCNY-UHFFFAOYSA-NMFCD26394853AKOS030572811SY518988

이름 더 보기

(5-tert-부틸-이속사졸-3-일)-카르바산페닐에스테르,(5-tert-부틸이속사졸-3-일)카르바산페닐에스테르Carbamic acid,N-[5-(1,1-dimethylethyl)-3-isoxazolyl]-, phenyl ester(5-tert-butyl-isoxazol-3-yl)-carbaMic acid phenyl ester, (5-tert-butylisoxazol-3-yl)carbaMic acid phenyl ester

DB-321372phenyl(5-tert-butylisoxazol-3-yl)carbamateG73868F553945Phenyl (5-tert-butyl-1,2-oxazol-3-yl)carbamate(5-t-butyl-isoxazol-3-yl)-carbamic acid phenyl ester(5-tert-butylisoxazol-3-yl)carbamic acid phenyl ester(5-tert-butyl-isoxazol-3-yl)-carbamic acid phenyl ester

데이터베이스 식별자

CAS: 81479-48-3
PubChem CID: 13489605
DTXSID: DTXSID20542058

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 308

물리화학적 성질

끓는 점: 362.9 · 362.9±34.0 °C(Predicted)
밀도: 1.198 · 1.198±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 11.38 · 11.38±0.70(Predicted)
InChI: InChI=1S/C14H16N2O3/c1-14(2,3)11-9-12(16-19-11)15-13(17)18-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,16,17)
InChIKey: FGUDMROYDQCCNY-UHFFFAOYSA-N
SMILES: C(OC1=CC=CC=C1)(=O)NC1C=C(C(C)(C)C)ON=1