N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

C22H20N4O3 — CID 17253035

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C22H20N4O3/c1-14-21(15(2)26(24-14)13-16-7-4-3-5-8-16)23-22(28)19-12-20(29-25-19)17-9-6-10-18(27)11-17/h3-12,27H,13H2,1-2H3,(H,23,28)
InChIKeyHIMHFNCJTPHRPU-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.16
Rot. Bonds5

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17253035) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID17253035
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C22H20N4O3/c1-14-21(15(2)26(24-14)13-16-7-4-3-5-8-16)23-22(28)19-12-20(29-25-19)17-9-6-10-18(27)11-17/h3-12,27H,13H2,1-2H3,(H,23,28)
InChIKeyHIMHFNCJTPHRPU-UHFFFAOYSA-N
XLogP4.16
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19335897
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3236902
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19341356
5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 22427442
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15988695
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3240435
5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 19405914
N-(2-ethylphenyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 5308609
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
N-(3-hydroxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093722
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19335620
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498502

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 17253035) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2cccc(O)c2)on1.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HIMHFNCJTPHRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14-21(15(2)26(24-14)13-16-7-4-3-5-8-16)23-22(28)19-12-20(29-25-19)17-9-6-10-18(27)11-17/h3-12,27H,13H2,1-2H3,(H,23,28).
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).