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

C20H17N5O3S — CID 66928309

IUPACN-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1csc(Cn2ccc(NC(=O)c3nc(C)oc3-c3ccccc3)n2)n1
InChIInChI=1S/C20H17N5O3S/c1-12(26)15-11-29-17(22-15)10-25-9-8-16(24-25)23-20(27)18-19(28-13(2)21-18)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,23,24,27)
InChIKeyIRHCMIOUAIEPPU-UHFFFAOYSA-N
MW407.46 g/mol
LogP3.81
Rot. Bonds6

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

N-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 66928309) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID66928309
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC NameN-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1csc(Cn2ccc(NC(=O)c3nc(C)oc3-c3ccccc3)n2)n1
InChIInChI=1S/C20H17N5O3S/c1-12(26)15-11-29-17(22-15)10-25-9-8-16(24-25)23-20(27)18-19(28-13(2)21-18)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,23,24,27)
InChIKeyIRHCMIOUAIEPPU-UHFFFAOYSA-N
XLogP3.81
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 66929077
N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 66929153
N-[1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 66929161
N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 67967927
N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 42647240
2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 75506099
1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 131008296
8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid
CID 120535696
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 142317072
5-(4-acetamidophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70166876
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 158019660

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide (CID 66928309) is N-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide is CC(=O)c1csc(Cn2ccc(NC(=O)c3nc(C)oc3-c3ccccc3)n2)n1.
What is the InChIKey of N-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is IRHCMIOUAIEPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-12(26)15-11-29-17(22-15)10-25-9-8-16(24-25)23-20(27)18-19(28-13(2)21-18)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,23,24,27).
What are the key properties of N-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide?
N-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 66928309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).