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

C20H15N3O2S — CID 24532559

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)cs1
InChIInChI=1S/C20H15N3O2S/c1-13-21-18(12-26-13)14-7-9-16(10-8-14)22-20(24)17-11-19(25-23-17)15-5-3-2-4-6-15/h2-12H,1H3,(H,22,24)
InChIKeyRWUFZUAIXPKIQK-UHFFFAOYSA-N
MW361.43 g/mol
LogP5.03
Rot. Bonds4

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

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 24532559) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID24532559
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)cs1
InChIInChI=1S/C20H15N3O2S/c1-13-21-18(12-26-13)14-7-9-16(10-8-14)22-20(24)17-11-19(25-23-17)15-5-3-2-4-6-15/h2-12H,1H3,(H,22,24)
InChIKeyRWUFZUAIXPKIQK-UHFFFAOYSA-N
XLogP5.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 55638814
5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 122286600
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazine-2-carboxamide
CID 18090488
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 73168690
methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
CID 108727336
5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619296
3,5-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286288
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
N-[4-(furan-2-carbonylamino)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51327615
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 146021559
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 24532559) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1nc(-c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is RWUFZUAIXPKIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-13-21-18(12-26-13)14-7-9-16(10-8-14)22-20(24)17-11-19(25-23-17)15-5-3-2-4-6-15/h2-12H,1H3,(H,22,24).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24532559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).