N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide

C19H22N4O2 — CID 57422294

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide
SMILESCc1noc(C)c1Cn1cc(N(C)C(=O)C(C)c2ccccc2)cn1
InChIInChI=1S/C19H22N4O2/c1-13(16-8-6-5-7-9-16)19(24)22(4)17-10-20-23(11-17)12-18-14(2)21-25-15(18)3/h5-11,13H,12H2,1-4H3
InChIKeyWNMBQYAFNCVHKD-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.30
Rot. Bonds5

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide (PubChem CID 57422294) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide
PubChem CID57422294
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide
SMILESCc1noc(C)c1Cn1cc(N(C)C(=O)C(C)c2ccccc2)cn1
InChIInChI=1S/C19H22N4O2/c1-13(16-8-6-5-7-9-16)19(24)22(4)17-10-20-23(11-17)12-18-14(2)21-25-15(18)3/h5-11,13H,12H2,1-4H3
InChIKeyWNMBQYAFNCVHKD-UHFFFAOYSA-N
XLogP3.30
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
N-(4-isoxazol-5-ylphenyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 24790939
5-methyl-3-phenyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
CID 757862
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
2-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)isoindoline-1,3-dione
CID 57422411
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea
CID 57422420
3-((3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2,4-dioxoimidazolidin-1-yl)methyl)-N-methylbenzamide
CID 57422430
2-((3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzonitrile
CID 57422441
3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(2-methylbenzyl)imidazolidine-2,4-dione
CID 57422442
3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(2-fluorobenzyl)imidazolidine-2,4-dione
CID 57422443
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one
CID 57422491
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 57944900

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide (CID 57422294) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide is Cc1noc(C)c1Cn1cc(N(C)C(=O)C(C)c2ccccc2)cn1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide?
The InChIKey is WNMBQYAFNCVHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(16-8-6-5-7-9-16)19(24)22(4)17-10-20-23(11-17)12-18-14(2)21-25-15(18)3/h5-11,13H,12H2,1-4H3.
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide has a molecular weight of 338.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 57422294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).