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

C19H22N4O2 — CID 5308157

IUPACN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(CC(C)C)on3)n2)cc1
InChIInChI=1S/C19H22N4O2/c1-13(2)10-16-11-17(22-25-16)19(24)20-18-8-9-23(21-18)12-15-6-4-14(3)5-7-15/h4-9,11,13H,10,12H2,1-3H3,(H,20,21,24)
InChIKeyGKXPFFIFPJDXTL-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.68
Rot. Bonds6

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

N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 5308157) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID5308157
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(CC(C)C)on3)n2)cc1
InChIInChI=1S/C19H22N4O2/c1-13(2)10-16-11-17(22-25-16)19(24)20-18-8-9-23(21-18)12-15-6-4-14(3)5-7-15/h4-9,11,13H,10,12H2,1-3H3,(H,20,21,24)
InChIKeyGKXPFFIFPJDXTL-UHFFFAOYSA-N
XLogP3.68
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-3-isoxazolyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811261
5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-methylisoxazole-3-carboxamide
CID 3237514
5-amino-1-butyl-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1H-pyrazole-4-carboxamide
CID 52943885
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
(2S)-N'-tert-butyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-N-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]butanediamide
CID 153140370
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761
N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5-phenyl-3-isoxazolecarboxamide
CID 1253408
5-(4-bromophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-3-carboxamide
CID 3237061
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-(4-methylbenzyl)-1H-pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 3242754
5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-3-carboxamide
CID 3244953

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 5308157) is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is Cc1ccc(Cn2ccc(NC(=O)c3cc(CC(C)C)on3)n2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GKXPFFIFPJDXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(2)10-16-11-17(22-25-16)19(24)20-18-8-9-23(21-18)12-15-6-4-14(3)5-7-15/h4-9,11,13H,10,12H2,1-3H3,(H,20,21,24).
What are the key properties of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5308157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).