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

C19H22N4O2 — CID 20876871

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2noc(C)c2Cn2nc(C)cc2C)cc1
InChIInChI=1S/C19H22N4O2/c1-12-5-7-16(8-6-12)10-20-19(24)18-17(15(4)25-22-18)11-23-14(3)9-13(2)21-23/h5-9H,10-11H2,1-4H3,(H,20,24)
InChIKeyFYGXTKRKPXKHKS-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.08
Rot. Bonds5

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

4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 20876871) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID20876871
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2noc(C)c2Cn2nc(C)cc2C)cc1
InChIInChI=1S/C19H22N4O2/c1-12-5-7-16(8-6-12)10-20-19(24)18-17(15(4)25-22-18)11-23-14(3)9-13(2)21-23/h5-9H,10-11H2,1-4H3,(H,20,24)
InChIKeyFYGXTKRKPXKHKS-UHFFFAOYSA-N
XLogP3.08
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 20876871) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(CNC(=O)c2noc(C)c2Cn2nc(C)cc2C)cc1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FYGXTKRKPXKHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-5-7-16(8-6-12)10-20-19(24)18-17(15(4)25-22-18)11-23-14(3)9-13(2)21-23/h5-9H,10-11H2,1-4H3,(H,20,24).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.08, 5 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-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20876871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).