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

C17H15NO3 — CID 134139546

IUPAC4-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCOc1ccc(/C=C\c2cccc3oc(=O)n(C)c23)cc1
InChIInChI=1S/C17H15NO3/c1-18-16-13(4-3-5-15(16)21-17(18)19)9-6-12-7-10-14(20-2)11-8-12/h3-11H,1-2H3/b9-6-
InChIKeyYKIRLNXZUXKCRZ-TWGQIWQCSA-N
MW281.31 g/mol
LogP3.31
Rot. Bonds3

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

4-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 134139546) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID134139546
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCOc1ccc(/C=C\c2cccc3oc(=O)n(C)c23)cc1
InChIInChI=1S/C17H15NO3/c1-18-16-13(4-3-5-15(16)21-17(18)19)9-6-12-7-10-14(20-2)11-8-12/h3-11H,1-2H3/b9-6-
InChIKeyYKIRLNXZUXKCRZ-TWGQIWQCSA-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

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
3-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one
CID 52942744
3-(4-ethoxybenzyl)-1,3-benzoxazol-2(3H)-one
CID 2989877
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
ethyl 2-(5-methyl-2-oxobenzo[d]oxazol-3(2H)-yl)acetate
CID 2056744
3-[(3-Methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 2086421
3-[(3-Fluorophenyl)methyl]-1,3-benzoxazol-2-one
CID 8071109
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
2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70689088
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

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one (CID 134139546) is 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one is COc1ccc(/C=C\c2cccc3oc(=O)n(C)c23)cc1.
What is the InChIKey of 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is YKIRLNXZUXKCRZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C17H15NO3/c1-18-16-13(4-3-5-15(16)21-17(18)19)9-6-12-7-10-14(20-2)11-8-12/h3-11H,1-2H3/b9-6-.
What are the key properties of 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one?
4-[(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 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 134139546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).