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

C20H24N4O2 — CID 20948992

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CCNC(=O)c2noc(C)c2Cn2nc(C)cc2C)cc1
InChIInChI=1S/C20H24N4O2/c1-13-5-7-17(8-6-13)9-10-21-20(25)19-18(16(4)26-23-19)12-24-15(3)11-14(2)22-24/h5-8,11H,9-10,12H2,1-4H3,(H,21,25)
InChIKeyIJGQXEUHYDMAPQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.13
Rot. Bonds6

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

4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 20948992) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID20948992
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CCNC(=O)c2noc(C)c2Cn2nc(C)cc2C)cc1
InChIInChI=1S/C20H24N4O2/c1-13-5-7-17(8-6-13)9-10-21-20(25)19-18(16(4)26-23-19)12-24-15(3)11-14(2)22-24/h5-8,11H,9-10,12H2,1-4H3,(H,21,25)
InChIKeyIJGQXEUHYDMAPQ-UHFFFAOYSA-N
XLogP3.13
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-ethyl-3-isoxazolecarboxamide
CID 44182100
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea
CID 57422420
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 57944900
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
CID 57944991
US10889564, Example 22
CID 129104683
US10889564, Example 34
CID 129104776
US10889564, Example 29
CID 129104778
(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-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3237784

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 20948992) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide is Cc1ccc(CCNC(=O)c2noc(C)c2Cn2nc(C)cc2C)cc1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IJGQXEUHYDMAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-5-7-17(8-6-13)9-10-21-20(25)19-18(16(4)26-23-19)12-24-15(3)11-14(2)22-24/h5-8,11H,9-10,12H2,1-4H3,(H,21,25).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20948992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).