(4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one

C6H7NO3 — CID 71502138

IUPAC(4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one
SMILESCO/C=C1\N=C(C)OC1=O
InChIInChI=1S/C6H7NO3/c1-4-7-5(3-9-2)6(8)10-4/h3H,1-2H3/b5-3-
InChIKeyKTDDLXMFYULVPW-HYXAFXHYSA-N
MW141.13 g/mol
LogP0.45
Rot. Bonds1

About (4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one

(4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one (PubChem CID 71502138) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is (4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one
PubChem CID71502138
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name(4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one
SMILESCO/C=C1\N=C(C)OC1=O
InChIInChI=1S/C6H7NO3/c1-4-7-5(3-9-2)6(8)10-4/h3H,1-2H3/b5-3-
InChIKeyKTDDLXMFYULVPW-HYXAFXHYSA-N
XLogP0.45
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-but-2-enylidene-2-methyl-1,3-oxazol-5-one
CID 59109513
(4E)-2-methyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108936871
(4E)-4-[2-(dimethylamino)ethylidene]-2-methyl-1,3-oxazol-5-one
CID 66889300
(4E)-4-[(2-bromophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 6927604
(4Z)-2-methyl-4-[[3-[(E)-(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-1,3-oxazol-5-one
CID 2376221
2-methyl-4-[[3-[(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-1,3-oxazol-5-one
CID 5060859
(4E)-2-methyl-4-[[3-[(E)-(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-1,3-oxazol-5-one
CID 2376219
(4E)-2-methyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 108935930
(4Z)-2-methyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 13428199
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 13080921
(4Z)-4-[(4-iodophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 19663963
(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 2306688

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one (CID 71502138) is (4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one is CO/C=C1\N=C(C)OC1=O.
What is the InChIKey of (4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one?
The InChIKey is KTDDLXMFYULVPW-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-4-7-5(3-9-2)6(8)10-4/h3H,1-2H3/b5-3-.
What are the key properties of (4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one?
(4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one has a molecular weight of 141.13 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one is sourced from PubChem (CID 71502138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).