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

C18H12N2O3S — CID 6152603

IUPAC(4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
SMILESCc1onc(-c2ccccc2)c1C1=N/C(=C\c2cccs2)C(=O)O1
InChIInChI=1S/C18H12N2O3S/c1-11-15(16(20-23-11)12-6-3-2-4-7-12)17-19-14(18(21)22-17)10-13-8-5-9-24-13/h2-10H,1H3/b14-10-
InChIKeySCZYGZKHLFJCPJ-UVTDQMKNSA-N
MW336.37 g/mol
LogP4.06
Rot. Bonds3

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

(4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 6152603) has the molecular formula C18H12N2O3S and a molecular weight of 336.37 g/mol. Its IUPAC name is (4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
PubChem CID6152603
Molecular FormulaC18H12N2O3S
Molecular Weight336.37 g/mol
Exact Mass336.06
IUPAC Name(4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
SMILESCc1onc(-c2ccccc2)c1C1=N/C(=C\c2cccs2)C(=O)O1
InChIInChI=1S/C18H12N2O3S/c1-11-15(16(20-23-11)12-6-3-2-4-7-12)17-19-14(18(21)22-17)10-13-8-5-9-24-13/h2-10H,1H3/b14-10-
InChIKeySCZYGZKHLFJCPJ-UVTDQMKNSA-N
XLogP4.06
TPSA64.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one (CID 6152603) is (4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one is Cc1onc(-c2ccccc2)c1C1=N/C(=C\c2cccs2)C(=O)O1.
What is the InChIKey of (4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is SCZYGZKHLFJCPJ-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H12N2O3S/c1-11-15(16(20-23-11)12-6-3-2-4-7-12)17-19-14(18(21)22-17)10-13-8-5-9-24-13/h2-10H,1H3/b14-10-.
What are the key properties of (4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
(4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 336.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 6152603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).