N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

C11H13N3O3 — CID 3238111

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(C)C)on2)no1
InChIInChI=1S/C11H13N3O3/c1-6(2)9-5-8(13-17-9)11(15)12-10-4-7(3)16-14-10/h4-6H,1-3H3,(H,12,14,15)
InChIKeyJHLLHZZTXIRHMN-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.35
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3238111) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3238111
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(C)C)on2)no1
InChIInChI=1S/C11H13N3O3/c1-6(2)9-5-8(13-17-9)11(15)12-10-4-7(3)16-14-10/h4-6H,1-3H3,(H,12,14,15)
InChIKeyJHLLHZZTXIRHMN-UHFFFAOYSA-N
XLogP2.35
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-1,2-oxazol-3-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-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 3238111) is N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is Cc1cc(NC(=O)c2cc(C(C)C)on2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is JHLLHZZTXIRHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6(2)9-5-8(13-17-9)11(15)12-10-4-7(3)16-14-10/h4-6H,1-3H3,(H,12,14,15).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 235.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3238111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).