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

C16H15ClN4O2 — CID 3237514

IUPACN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)no1
InChIInChI=1S/C16H15ClN4O2/c1-10-7-15(18-16(22)14-8-11(2)23-20-14)19-21(10)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22)
InChIKeyYTQNANNNIWCWCA-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.44
Rot. Bonds4

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

N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 3237514) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID3237514
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)no1
InChIInChI=1S/C16H15ClN4O2/c1-10-7-15(18-16(22)14-8-11(2)23-20-14)19-21(10)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22)
InChIKeyYTQNANNNIWCWCA-UHFFFAOYSA-N
XLogP3.44
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N4-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 2818764
N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-5-methylisoxazole-3-carboxamide
CID 3238132
5-(3,4-dichlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 650802
N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5-phenyl-3-isoxazolecarboxamide
CID 1253408
N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3239873
5-methyl-N-(5-methyl-2-phenyl-3-pyrazolyl)-3-isoxazolecarboxamide
CID 3240282
N-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-methylisoxazole-3-carboxamide
CID 3241041
N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 3241373
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-methylisoxazole-3-carboxamide
CID 3241656
N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 3241972
N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methoxyphenyl)isoxazole-3-carboxamide
CID 3244603
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5308125

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 3237514) is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)no1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is YTQNANNNIWCWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-10-7-15(18-16(22)14-8-11(2)23-20-14)19-21(10)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 330.78 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3237514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).