N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide

C19H22N4O2 — CID 136539407

IUPACN-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide
SMILESCc1noc(C)c1C(C)(C)C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H22N4O2/c1-13-17(14(2)25-22-13)19(3,4)18(24)21-16-10-20-23(12-16)11-15-8-6-5-7-9-15/h5-10,12H,11H2,1-4H3,(H,21,24)
InChIKeyQMHDREYHAOLKKM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.45
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide

N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide (PubChem CID 136539407) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide
PubChem CID136539407
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide
SMILESCc1noc(C)c1C(C)(C)C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H22N4O2/c1-13-17(14(2)25-22-13)19(3,4)18(24)21-16-10-20-23(12-16)11-15-8-6-5-7-9-15/h5-10,12H,11H2,1-4H3,(H,21,24)
InChIKeyQMHDREYHAOLKKM-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxybenzamide
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1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide
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N-[(1-benzylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
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N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
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N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methylbenzamide
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(1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide (CID 136539407) is N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide is Cc1noc(C)c1C(C)(C)C(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide?
The InChIKey is QMHDREYHAOLKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-17(14(2)25-22-13)19(3,4)18(24)21-16-10-20-23(12-16)11-15-8-6-5-7-9-15/h5-10,12H,11H2,1-4H3,(H,21,24).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide?
N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide has a molecular weight of 338.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide is sourced from PubChem (CID 136539407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).