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

C17H18N4O2 — CID 6619748

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)on1
InChIInChI=1S/C17H18N4O2/c1-11-9-15(23-20-11)17(22)18-16-12(2)19-21(13(16)3)10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3,(H,18,22)
InChIKeyIEFZLZOTFGOJPP-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.10
Rot. Bonds4

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

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 6619748) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID6619748
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)on1
InChIInChI=1S/C17H18N4O2/c1-11-9-15(23-20-11)17(22)18-16-12(2)19-21(13(16)3)10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3,(H,18,22)
InChIKeyIEFZLZOTFGOJPP-UHFFFAOYSA-N
XLogP3.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-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)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide (CID 6619748) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)on1.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is IEFZLZOTFGOJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-9-15(23-20-11)17(22)18-16-12(2)19-21(13(16)3)10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3,(H,18,22).
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.10, 4 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)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 6619748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).