4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one

C15H11NO3S — CID 2732460

IUPAC4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1ccc(C=C2N=C(c3ccccc3)OC2=O)s1
InChIInChI=1S/C15H11NO3S/c1-18-13-8-7-11(20-13)9-12-15(17)19-14(16-12)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyPQUMUBKZGFHCNV-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.10
Rot. Bonds3

About 4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one

4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 2732460) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID2732460
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1ccc(C=C2N=C(c3ccccc3)OC2=O)s1
InChIInChI=1S/C15H11NO3S/c1-18-13-8-7-11(20-13)9-12-15(17)19-14(16-12)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyPQUMUBKZGFHCNV-UHFFFAOYSA-N
XLogP3.10
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[(5-ethylthiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6257969
(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5407066
(4Z)-4-[(5-chlorothiophen-2-yl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 17478121
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
2-phenyl-4-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3692253
4-[(4-bromo-5-ethylthiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4074897
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6199787
(4Z)-2-(3-bromophenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 2687387
(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one
CID 2465989
(4Z)-2-(5-methylthiophen-2-yl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 2687166
(4Z)-2-(3,4-dimethylphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 6213875

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (CID 2732460) is 4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is COc1ccc(C=C2N=C(c3ccccc3)OC2=O)s1.
What is the InChIKey of 4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is PQUMUBKZGFHCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c1-18-13-8-7-11(20-13)9-12-15(17)19-14(16-12)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 285.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 2732460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).