5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

C15H13N3O2S — CID 6465157

IUPAC5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2csc(-c3ccccc3)n2)no1
InChIInChI=1S/C15H13N3O2S/c1-10-7-13(18-20-10)14(19)16-8-12-9-21-15(17-12)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,16,19)
InChIKeyKIGACOFJBZHMMQ-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.04
Rot. Bonds4

About 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 6465157) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID6465157
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2csc(-c3ccccc3)n2)no1
InChIInChI=1S/C15H13N3O2S/c1-10-7-13(18-20-10)14(19)16-8-12-9-21-15(17-12)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,16,19)
InChIKeyKIGACOFJBZHMMQ-UHFFFAOYSA-N
XLogP3.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3244595
N-benzyl-2-(3-benzylisoxazol-5-yl)-4-methylthiazole-5-carboxamide
CID 24960062
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 71858568
5-Methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoxazole
CID 2745330
5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 6470972
5-phenyl-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 973872
N-(4-fluorobenzyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3236697
N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3240914
5-phenyl-N-[3-(1,3-thiazole-2-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 60167609
US11306078, Example 4.070
CID 141678013
US11306078, Example 1.031
CID 141749003
US11306078, Example 1.068
CID 141749005

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 6465157) is 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2csc(-c3ccccc3)n2)no1.
What is the InChIKey of 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KIGACOFJBZHMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10-7-13(18-20-10)14(19)16-8-12-9-21-15(17-12)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,16,19).
What are the key properties of 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 6465157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).