2-tert-butyl-4-cyclopentyl-1,3-oxazole

C12H19NO — CID 56980996

IUPAC2-tert-butyl-4-cyclopentyl-1,3-oxazole
SMILESCC(C)(C)c1nc(C2CCCC2)co1
InChIInChI=1S/C12H19NO/c1-12(2,3)11-13-10(8-14-11)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3
InChIKeyASBOPJLJYUMOJP-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.63
Rot. Bonds1

About 2-tert-butyl-4-cyclopentyl-1,3-oxazole

2-tert-butyl-4-cyclopentyl-1,3-oxazole (PubChem CID 56980996) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-tert-butyl-4-cyclopentyl-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4-cyclopentyl-1,3-oxazole
PubChem CID56980996
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-tert-butyl-4-cyclopentyl-1,3-oxazole
SMILESCC(C)(C)c1nc(C2CCCC2)co1
InChIInChI=1S/C12H19NO/c1-12(2,3)11-13-10(8-14-11)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3
InChIKeyASBOPJLJYUMOJP-UHFFFAOYSA-N
XLogP3.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-4-cyclopentyl-1,3-oxazole 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 2-tert-butyl-4-cyclopentyl-1,3-oxazole?
The IUPAC name of 2-tert-butyl-4-cyclopentyl-1,3-oxazole (CID 56980996) is 2-tert-butyl-4-cyclopentyl-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-4-cyclopentyl-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-4-cyclopentyl-1,3-oxazole is CC(C)(C)c1nc(C2CCCC2)co1.
What is the InChIKey of 2-tert-butyl-4-cyclopentyl-1,3-oxazole?
The InChIKey is ASBOPJLJYUMOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)11-13-10(8-14-11)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-4-cyclopentyl-1,3-oxazole?
2-tert-butyl-4-cyclopentyl-1,3-oxazole has a molecular weight of 193.29 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-cyclopentyl-1,3-oxazole is sourced from PubChem (CID 56980996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).