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

C21H18N4O3S — CID 66928374

IUPACN-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(Cn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)s1
InChIInChI=1S/C21H18N4O3S/c1-13-4-3-5-15(8-13)20-19(22-12-28-20)21(27)24-16-9-23-25(10-16)11-17-6-7-18(29-17)14(2)26/h3-10,12H,11H2,1-2H3,(H,24,27)
InChIKeyWBAKRVBAHSKWLF-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.41
Rot. Bonds6

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

N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 66928374) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID66928374
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(Cn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)s1
InChIInChI=1S/C21H18N4O3S/c1-13-4-3-5-15(8-13)20-19(22-12-28-20)21(27)24-16-9-23-25(10-16)11-17-6-7-18(29-17)14(2)26/h3-10,12H,11H2,1-2H3,(H,24,27)
InChIKeyWBAKRVBAHSKWLF-UHFFFAOYSA-N
XLogP4.41
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 126842418
N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 42647244
5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 3232259
N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 66929054
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 42646541
5-(3-methylphenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 20963716
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 3232242
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963781
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 66928869
N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 42647240
N-(3,5-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963660
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267419

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 66928374) is N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is CC(=O)c1ccc(Cn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)s1.
What is the InChIKey of N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WBAKRVBAHSKWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-13-4-3-5-15(8-13)20-19(22-12-28-20)21(27)24-16-9-23-25(10-16)11-17-6-7-18(29-17)14(2)26/h3-10,12H,11H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 66928374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).