2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole

C12H21NO — CID 71426918

IUPAC2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C2(C(C)(C)C)CC2)=N1
InChIInChI=1S/C12H21NO/c1-10(2,3)12(6-7-12)9-13-11(4,5)8-14-9/h6-8H2,1-5H3
InChIKeyCNPFZRMUICNYPB-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.02
Rot. Bonds1

About 2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole

2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 71426918) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID71426918
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C2(C(C)(C)C)CC2)=N1
InChIInChI=1S/C12H21NO/c1-10(2,3)12(6-7-12)9-13-11(4,5)8-14-9/h6-8H2,1-5H3
InChIKeyCNPFZRMUICNYPB-UHFFFAOYSA-N
XLogP3.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-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-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole (CID 71426918) is 2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(C2(C(C)(C)C)CC2)=N1.
What is the InChIKey of 2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is CNPFZRMUICNYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2,3)12(6-7-12)9-13-11(4,5)8-14-9/h6-8H2,1-5H3.
What are the key properties of 2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 195.31 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 71426918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).