3-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-methoxybenzyl)oxy]-1-phenyl-1H-pyrazole-4-carbaldehyde

HCID 86605775

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(COc2nn(-c3ccccc3)cc2C=O)ccc1OCc1nc(-c2ccco2)oc1C
InChIKey: WKIHNBDJDMUKOD-UHFFFAOYSA-N
분자식: C27H23N3O6
평균 분자량: 485.5 g/mol

이름 및 식별자

우선 이름: 3-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-methoxybenzyl)oxy]-1-phenyl-1H-pyrazole-4-carbaldehyde
IUPAC: 3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazole-4-carbaldehyde

이름 및 동의어

SCHEMBL4848460WKIHNBDJDMUKOD-UHFFFAOYSA-N3-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-methoxybenzyl)oxy]-1-phenyl-1H-pyrazole-4-carbaldehyde

데이터베이스 식별자

PubChem CID: 86605775

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 102 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 10
무거운 원자 수: 36
형식 전하: 0
복잡도: 694

관련 반응

31건

반응 기록 만들기

HRID 108828 반응식

HRID 108828반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 137124 반응식

HRID 137124반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 140192 반응식

HRID 140192반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 172066 반응식

HRID 172066반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 179481 반응식

HRID 179481반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 665359 반응식

HRID 665359반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 689074 반응식

HRID 689074생성물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 804862 반응식

HRID 804862반응물로Test data from https://doi.org/10.1039/C8SC04228D

연결된 노트

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