7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one

C18H17NO4 — CID 134136721

IUPAC7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCOc1cc(/C=C\c2cccc3c2oc(=O)n3C)cc(OC)c1
InChIInChI=1S/C18H17NO4/c1-19-16-6-4-5-13(17(16)23-18(19)20)8-7-12-9-14(21-2)11-15(10-12)22-3/h4-11H,1-3H3/b8-7-
InChIKeyPIVPVCCOKPYBOP-FPLPWBNLSA-N
MW311.34 g/mol
LogP3.32
Rot. Bonds4

About 7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one

7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 134136721) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID134136721
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCOc1cc(/C=C\c2cccc3c2oc(=O)n3C)cc(OC)c1
InChIInChI=1S/C18H17NO4/c1-19-16-6-4-5-13(17(16)23-18(19)20)8-7-12-9-14(21-2)11-15(10-12)22-3/h4-11H,1-3H3/b8-7-
InChIKeyPIVPVCCOKPYBOP-FPLPWBNLSA-N
XLogP3.32
TPSA53.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
3-[(3-Methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 2086421
3-benzyl-6-methylbenzo[d]oxazol-2(3H)-one
CID 52950186
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-benzoxazol-2-one
CID 10408385
5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one
CID 851216
5-Methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
CID 851217
5-Methyl-3-[3-(2-methylphenoxy)propyl]-1,3-benzoxazol-2-one
CID 2130277
5-Methyl-3-(3-m-tolyloxy-propyl)-3H-benzooxazol-2-one
CID 2130278
3-[3-(3-methylphenoxy)propyl]-1,3-benzoxazol-2(3H)-one
CID 2147692
3-(2-ethoxybenzyl)-5-methyl-1,3-benzoxazol-2(3H)-one
CID 851212
3-[4-(N-Benzyl-N-methylamino)butyl]benzo[d]oxazol-2(3H)-one
CID 44249191

Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one (CID 134136721) is 7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one is COc1cc(/C=C\c2cccc3c2oc(=O)n3C)cc(OC)c1.
What is the InChIKey of 7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is PIVPVCCOKPYBOP-FPLPWBNLSA-N. The full InChI is InChI=1S/C18H17NO4/c1-19-16-6-4-5-13(17(16)23-18(19)20)8-7-12-9-14(21-2)11-15(10-12)22-3/h4-11H,1-3H3/b8-7-.
What are the key properties of 7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one?
7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 311.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 134136721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).