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

C19H22N4O2 — CID 15988753

IUPACN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)no1
InChIInChI=1S/C19H22N4O2/c1-5-16-10-17(22-25-16)19(24)20-18-13(3)21-23(14(18)4)11-15-8-6-12(2)7-9-15/h6-10H,5,11H2,1-4H3,(H,20,24)
InChIKeyWJBYNRWLVUZROF-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.66
Rot. Bonds5

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

N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 15988753) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide
PubChem CID15988753
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)no1
InChIInChI=1S/C19H22N4O2/c1-5-16-10-17(22-25-16)19(24)20-18-13(3)21-23(14(18)4)11-15-8-6-12(2)7-9-15/h6-10H,5,11H2,1-4H3,(H,20,24)
InChIKeyWJBYNRWLVUZROF-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide (CID 15988753) is N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide is CCc1cc(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-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is WJBYNRWLVUZROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-5-16-10-17(22-25-16)19(24)20-18-13(3)21-23(14(18)4)11-15-8-6-12(2)7-9-15/h6-10H,5,11H2,1-4H3,(H,20,24).
What are the key properties of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide?
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.66, 5 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-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).