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

C14H11N3O2S — CID 2999703

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccno3)n2)cc1
InChIInChI=1S/C14H11N3O2S/c1-9-2-4-10(5-3-9)11-8-20-14(16-11)17-13(18)12-6-7-15-19-12/h2-8H,1H3,(H,16,17,18)
InChIKeyWDTUFJHIGJTNSD-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.36
Rot. Bonds3

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

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 2999703) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID2999703
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccno3)n2)cc1
InChIInChI=1S/C14H11N3O2S/c1-9-2-4-10(5-3-9)11-8-20-14(16-11)17-13(18)12-6-7-15-19-12/h2-8H,1H3,(H,16,17,18)
InChIKeyWDTUFJHIGJTNSD-UHFFFAOYSA-N
XLogP3.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 18587219
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 153338918
methane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 159351221
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16953644
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 16804300
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 153338934
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 43951124
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 5019698

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide (CID 2999703) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide is Cc1ccc(-c2csc(NC(=O)c3ccno3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is WDTUFJHIGJTNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9-2-4-10(5-3-9)11-8-20-14(16-11)17-13(18)12-6-7-15-19-12/h2-8H,1H3,(H,16,17,18).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2999703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).