N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

C19H22N4O2 — CID 15988782

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C19H22N4O2/c1-12(2)17-10-16(22-25-17)19(24)20-18-13(3)21-23(14(18)4)11-15-8-6-5-7-9-15/h5-10,12H,11H2,1-4H3,(H,20,24)
InChIKeyMWFIZOPPSBVXAV-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.91
Rot. Bonds5

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 15988782) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID15988782
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C19H22N4O2/c1-12(2)17-10-16(22-25-17)19(24)20-18-13(3)21-23(14(18)4)11-15-8-6-5-7-9-15/h5-10,12H,11H2,1-4H3,(H,20,24)
InChIKeyMWFIZOPPSBVXAV-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 15988782) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(C(C)C)on1.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is MWFIZOPPSBVXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12(2)17-10-16(22-25-17)19(24)20-18-13(3)21-23(14(18)4)11-15-8-6-5-7-9-15/h5-10,12H,11H2,1-4H3,(H,20,24).
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).