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

C18H14N2O4S2 — CID 139087233

IUPAC(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
SMILESCC1=N/C(=C\c2cccs2)C(=O)O1.CC1=N/C(=C\c2cccs2)C(=O)O1
InChIInChI=1S/2C9H7NO2S/c2*1-6-10-8(9(11)12-6)5-7-3-2-4-13-7/h2*2-5H,1H3/b2*8-5-
InChIKeyORWQWHLUXGXIEL-VKNAHIEFSA-N
MW386.45 g/mol
LogP4.13
Rot. Bonds2

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

(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 139087233) has the molecular formula C18H14N2O4S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is (4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
PubChem CID139087233
Molecular FormulaC18H14N2O4S2
Molecular Weight386.45 g/mol
Exact Mass386.04
IUPAC Name(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
SMILESCC1=N/C(=C\c2cccs2)C(=O)O1.CC1=N/C(=C\c2cccs2)C(=O)O1
InChIInChI=1S/2C9H7NO2S/c2*1-6-10-8(9(11)12-6)5-7-3-2-4-13-7/h2*2-5H,1H3/b2*8-5-
InChIKeyORWQWHLUXGXIEL-VKNAHIEFSA-N
XLogP4.13
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-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

2-[2-(4-methylphenyl)ethenyl]-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 3256122
2-(thiophen-2-ylmethyl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 54557514
(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
2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one
CID 832356
(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 2306688
(4E)-2-(4-bromocyclohexa-1,3-dien-1-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 155172339
(4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 6152603
(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
N-[4-[(4Z)-5-oxo-4-(thiophen-2-ylmethylidene)-1,3-oxazol-2-yl]phenyl]acetamide
CID 5390661

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one (CID 139087233) is (4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one is CC1=N/C(=C\c2cccs2)C(=O)O1.CC1=N/C(=C\c2cccs2)C(=O)O1.
What is the InChIKey of (4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is ORWQWHLUXGXIEL-VKNAHIEFSA-N. The full InChI is InChI=1S/2C9H7NO2S/c2*1-6-10-8(9(11)12-6)5-7-3-2-4-13-7/h2*2-5H,1H3/b2*8-5-.
What are the key properties of (4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 386.45 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 139087233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).