6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one

C17H15NO3 — CID 134133463

IUPAC6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCOc1ccc(/C=C\c2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C17H15NO3/c1-18-15-10-7-13(11-16(15)21-17(18)19)4-3-12-5-8-14(20-2)9-6-12/h3-11H,1-2H3/b4-3-
InChIKeyGIEJQXJJQYHMSI-ARJAWSKDSA-N
MW281.31 g/mol
LogP3.31
Rot. Bonds3

About 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one

6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 134133463) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID134133463
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCOc1ccc(/C=C\c2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C17H15NO3/c1-18-15-10-7-13(11-16(15)21-17(18)19)4-3-12-5-8-14(20-2)9-6-12/h3-11H,1-2H3/b4-3-
InChIKeyGIEJQXJJQYHMSI-ARJAWSKDSA-N
XLogP3.31
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 22433803
7-[(E)-2-(4-methoxyphenyl)ethenyl]-4-propan-2-ylchromen-2-one
CID 178110195
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
CID 134149491
3-hydroxy-6-methoxy-1,3-benzoxazol-2-one
CID 71501239
6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932265
6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
6-methoxy-3-methyl-1,3-benzoxazole-2-thione
CID 71320502
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766578
3-methyl-6-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one
CID 54088296
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one (CID 134133463) is 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one is COc1ccc(/C=C\c2ccc3c(c2)oc(=O)n3C)cc1.
What is the InChIKey of 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is GIEJQXJJQYHMSI-ARJAWSKDSA-N. The full InChI is InChI=1S/C17H15NO3/c1-18-15-10-7-13(11-16(15)21-17(18)19)4-3-12-5-8-14(20-2)9-6-12/h3-11H,1-2H3/b4-3-.
What are the key properties of 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one?
6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 281.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 134133463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).