2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide

C15H13N3O2S — CID 117084448

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1noc(C)c1-c1ncc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C15H13N3O2S/c1-9-13(10(2)20-18-9)15-16-8-12(21-15)14(19)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,19)
InChIKeyKQUOOLRWVXRAPT-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.67
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 117084448) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID117084448
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1noc(C)c1-c1ncc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C15H13N3O2S/c1-9-13(10(2)20-18-9)15-16-8-12(21-15)14(19)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,19)
InChIKeyKQUOOLRWVXRAPT-UHFFFAOYSA-N
XLogP3.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide (CID 117084448) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide is Cc1noc(C)c1-c1ncc(C(=O)Nc2ccccc2)s1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is KQUOOLRWVXRAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-13(10(2)20-18-9)15-16-8-12(21-15)14(19)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,19).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117084448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).