N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide

C18H22N2O2 — CID 121439934

IUPACN-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCC(C)(C)C1CC(NC(=O)c2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)13-9-14(10-13)19-17(21)16-11-15(20-22-16)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3,(H,19,21)
InChIKeyMALZIXSGWFCFGS-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.90
Rot. Bonds3

About N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide

N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 121439934) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID121439934
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCC(C)(C)C1CC(NC(=O)c2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)13-9-14(10-13)19-17(21)16-11-15(20-22-16)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3,(H,19,21)
InChIKeyMALZIXSGWFCFGS-UHFFFAOYSA-N
XLogP3.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-tert-butylcyclobutyl)-3-phenyl-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-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide (CID 121439934) is N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide is CC(C)(C)C1CC(NC(=O)c2cc(-c3ccccc3)no2)C1.
What is the InChIKey of N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is MALZIXSGWFCFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,3)13-9-14(10-13)19-17(21)16-11-15(20-22-16)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide?
N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 121439934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).