5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

C17H18N4O2 — CID 1093814

IUPAC5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cnn(C(C)C)c3)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-11(2)21-10-14(9-18-21)19-17(22)15-8-16(23-20-15)13-6-4-12(3)5-7-13/h4-11H,1-3H3,(H,19,22)
InChIKeyKNDRDFFUMNHLRJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.68
Rot. Bonds4

About 5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 1093814) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID1093814
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cnn(C(C)C)c3)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-11(2)21-10-14(9-18-21)19-17(22)15-8-16(23-20-15)13-6-4-12(3)5-7-13/h4-11H,1-3H3,(H,19,22)
InChIKeyKNDRDFFUMNHLRJ-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-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 5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (CID 1093814) is 5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cnn(C(C)C)c3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is KNDRDFFUMNHLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(2)21-10-14(9-18-21)19-17(22)15-8-16(23-20-15)13-6-4-12(3)5-7-13/h4-11H,1-3H3,(H,19,22).
What are the key properties of 5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).