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

C20H24N4O2 — CID 15988788

IUPACN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)no1
InChIInChI=1S/C20H24N4O2/c1-5-6-17-11-18(23-26-17)20(25)21-19-14(3)22-24(15(19)4)12-16-9-7-13(2)8-10-16/h7-11H,5-6,12H2,1-4H3,(H,21,25)
InChIKeyFKFSFVPVMXCBLP-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.05
Rot. Bonds6

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

N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 15988788) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID15988788
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)no1
InChIInChI=1S/C20H24N4O2/c1-5-6-17-11-18(23-26-17)20(25)21-19-14(3)22-24(15(19)4)12-16-9-7-13(2)8-10-16/h7-11H,5-6,12H2,1-4H3,(H,21,25)
InChIKeyFKFSFVPVMXCBLP-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3244774
5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-5-methylisoxazole-3-carboxamide
CID 3238132
N-[1-(1-adamantyl)-1H-pyrazol-4-yl]-5-phenyl-3-isoxazolecarboxamide
CID 2962287
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
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
(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-[1-(1-adamantyl)-1H-pyrazol-4-yl]-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 2971659
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 3237644

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide (CID 15988788) is N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)no1.
What is the InChIKey of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is FKFSFVPVMXCBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-5-6-17-11-18(23-26-17)20(25)21-19-14(3)22-24(15(19)4)12-16-9-7-13(2)8-10-16/h7-11H,5-6,12H2,1-4H3,(H,21,25).
What are the key properties of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide?
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).