2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one

C17H15NO3S — CID 4810518

IUPAC2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
SMILESCCOc1ccccc1C1=NC(=Cc2ccc(C)s2)C(=O)O1
InChIInChI=1S/C17H15NO3S/c1-3-20-15-7-5-4-6-13(15)16-18-14(17(19)21-16)10-12-9-8-11(2)22-12/h4-10H,3H2,1-2H3
InChIKeyVOSORFNKOAVIKX-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.80
Rot. Bonds4

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

2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 4810518) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
PubChem CID4810518
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
SMILESCCOc1ccccc1C1=NC(=Cc2ccc(C)s2)C(=O)O1
InChIInChI=1S/C17H15NO3S/c1-3-20-15-7-5-4-6-13(15)16-18-14(17(19)21-16)10-12-9-8-11(2)22-12/h4-10H,3H2,1-2H3
InChIKeyVOSORFNKOAVIKX-UHFFFAOYSA-N
XLogP3.80
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.80
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

(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(2-ethoxyphenyl)-1,3-oxazol-5-one
CID 7779117
(4Z)-2-(5-methylthiophen-2-yl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 2687166
(4E)-2-(2-ethoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2694649
(4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
CID 7963704
(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-(2-ethoxyphenyl)-1,3-oxazol-5-one
CID 2647754
4-[(3,4-diethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2865589
(4Z)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(2-ethoxyphenyl)-1,3-oxazol-5-one
CID 9312966
(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 6269498
4-[(4-ethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2896918
(4Z)-4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]-2-(2-ethoxyphenyl)-1,3-oxazol-5-one
CID 9312987
(4Z)-2-(3,4-dimethylphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 6213875
(4Z)-2-(2-ethoxyphenyl)-4-[(4-ethyl-3-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 9312972

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one (CID 4810518) is 2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one is CCOc1ccccc1C1=NC(=Cc2ccc(C)s2)C(=O)O1.
What is the InChIKey of 2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is VOSORFNKOAVIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-3-20-15-7-5-4-6-13(15)16-18-14(17(19)21-16)10-12-9-8-11(2)22-12/h4-10H,3H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one?
2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 313.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 4810518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).