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

C9H7NO2S — CID 5410889

IUPAC(4Z)-2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one
SMILESCC1=N/C(=C\c2ccsc2)C(=O)O1
InChIInChI=1S/C9H7NO2S/c1-6-10-8(9(11)12-6)4-7-2-3-13-5-7/h2-5H,1H3/b8-4-
InChIKeyAKRFVTFRRIGKNO-YWEYNIOJSA-N
MW193.23 g/mol
LogP2.06
Rot. Bonds1

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

(4Z)-2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 5410889) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is (4Z)-2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one
PubChem CID5410889
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name(4Z)-2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one
SMILESCC1=N/C(=C\c2ccsc2)C(=O)O1
InChIInChI=1S/C9H7NO2S/c1-6-10-8(9(11)12-6)4-7-2-3-13-5-7/h2-5H,1H3/b8-4-
InChIKeyAKRFVTFRRIGKNO-YWEYNIOJSA-N
XLogP2.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one (CID 5410889) is (4Z)-2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one is CC1=N/C(=C\c2ccsc2)C(=O)O1.
What is the InChIKey of (4Z)-2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is AKRFVTFRRIGKNO-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H7NO2S/c1-6-10-8(9(11)12-6)4-7-2-3-13-5-7/h2-5H,1H3/b8-4-.
What are the key properties of (4Z)-2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one?
(4Z)-2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 193.23 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 5410889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).