3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide

C19H22N4O2 — CID 70770272

IUPAC3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(Cn2cccn2)c2ccccc2)on1
InChIInChI=1S/C19H22N4O2/c1-14(2)11-16-12-18(25-22-16)19(24)21-17(13-23-10-6-9-20-23)15-7-4-3-5-8-15/h3-10,12,14,17H,11,13H2,1-2H3,(H,21,24)
InChIKeyBORBQHCDUXOGKM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.24
Rot. Bonds7

About 3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide

3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide (PubChem CID 70770272) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide
PubChem CID70770272
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(Cn2cccn2)c2ccccc2)on1
InChIInChI=1S/C19H22N4O2/c1-14(2)11-16-12-18(25-22-16)19(24)21-17(13-23-10-6-9-20-23)15-7-4-3-5-8-15/h3-10,12,14,17H,11,13H2,1-2H3,(H,21,24)
InChIKeyBORBQHCDUXOGKM-UHFFFAOYSA-N
XLogP3.24
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide
CID 97129988
N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide
CID 166406989
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70737249
2,4-dimethyl-5-[(1-phenyl-2-pyrazol-1-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylic acid
CID 131917525
N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95135581
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 50973724
1-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea
CID 126433746
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]furan-3-carboxamide
CID 97189860
3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 99947261
3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide
CID 110001735
1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide
CID 56706408
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide (CID 70770272) is 3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide is CC(C)Cc1cc(C(=O)NC(Cn2cccn2)c2ccccc2)on1.
What is the InChIKey of 3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is BORBQHCDUXOGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(2)11-16-12-18(25-22-16)19(24)21-17(13-23-10-6-9-20-23)15-7-4-3-5-8-15/h3-10,12,14,17H,11,13H2,1-2H3,(H,21,24).
What are the key properties of 3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide?
3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70770272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).