2-ethylidene-4-methyl-1,3-oxazol-5-one

C6H7NO2 — CID 130653508

IUPAC2-ethylidene-4-methyl-1,3-oxazol-5-one
SMILESCC=C1N=C(C)C(=O)O1
InChIInChI=1S/C6H7NO2/c1-3-5-7-4(2)6(8)9-5/h3H,1-2H3
InChIKeyJSLWIMVZVNTXHV-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.87
Rot. Bonds

About 2-ethylidene-4-methyl-1,3-oxazol-5-one

2-ethylidene-4-methyl-1,3-oxazol-5-one (PubChem CID 130653508) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-ethylidene-4-methyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-ethylidene-4-methyl-1,3-oxazol-5-one
PubChem CID130653508
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name2-ethylidene-4-methyl-1,3-oxazol-5-one
SMILESCC=C1N=C(C)C(=O)O1
InChIInChI=1S/C6H7NO2/c1-3-5-7-4(2)6(8)9-5/h3H,1-2H3
InChIKeyJSLWIMVZVNTXHV-UHFFFAOYSA-N
XLogP0.87
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(4E)-3-[2-(2,5-dimethylfuran-3-yl)ethylidene]-4-ethylideneoxolane-2,5-dione
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(4E)-4-ethylidene-2-[(4-phenylphenyl)methyl]-1,3-oxazol-5-one
CID 155172265
(3E,4E)-3-ethylidene-4-pent-3-enylideneoxolane-2,5-dione
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4-but-2-enylidene-2-methyl-1,3-oxazol-5-one
CID 59109513
lithium;3-ethylideneoxolane-2,5-dione;hydride
CID 175434916
2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one
CID 69224625
(4Z)-2-(2-methylphenyl)-4-[[4-[(Z)-[2-(2-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]methylidene]-1,3-oxazol-5-one
CID 93051206
(3S,5E)-3-amino-5-ethylideneoxolan-2-one
CID 45078781
(4Z)-4-ethylidenedioxetan-3-one
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(4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one
CID 71502138

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-4-methyl-1,3-oxazol-5-one?
The IUPAC name of 2-ethylidene-4-methyl-1,3-oxazol-5-one (CID 130653508) is 2-ethylidene-4-methyl-1,3-oxazol-5-one.
What is the SMILES notation for 2-ethylidene-4-methyl-1,3-oxazol-5-one?
The canonical SMILES for 2-ethylidene-4-methyl-1,3-oxazol-5-one is CC=C1N=C(C)C(=O)O1.
What is the InChIKey of 2-ethylidene-4-methyl-1,3-oxazol-5-one?
The InChIKey is JSLWIMVZVNTXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-3-5-7-4(2)6(8)9-5/h3H,1-2H3.
What are the key properties of 2-ethylidene-4-methyl-1,3-oxazol-5-one?
2-ethylidene-4-methyl-1,3-oxazol-5-one has a molecular weight of 125.13 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-4-methyl-1,3-oxazol-5-one is sourced from PubChem (CID 130653508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).