N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide

C15H11N3O3S — CID 51262518

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C15H11N3O3S/c1-9(19)12-8-22-15(16-12)17-14(20)11-7-13(21-18-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17,20)
InChIKeyAJAOVKKOSNHULT-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.25
Rot. Bonds4

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

N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 51262518) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID51262518
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C15H11N3O3S/c1-9(19)12-8-22-15(16-12)17-14(20)11-7-13(21-18-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17,20)
InChIKeyAJAOVKKOSNHULT-UHFFFAOYSA-N
XLogP3.25
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447891
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 134053387
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 24555770
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-2-carboxamide
CID 26469458
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43989111
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24532559
N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51248246
N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 78928016
N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60717086
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43989210

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 51262518) is N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide is CC(=O)c1csc(NC(=O)c2cc(-c3ccccc3)on2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is AJAOVKKOSNHULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c1-9(19)12-8-22-15(16-12)17-14(20)11-7-13(21-18-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17,20).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51262518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).