2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole

C11H16FNO — CID 155202614

IUPAC2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole
SMILESCC(C)(C)c1nc(C2(CF)CC2)co1
InChIInChI=1S/C11H16FNO/c1-10(2,3)9-13-8(6-14-9)11(7-12)4-5-11/h6H,4-5,7H2,1-3H3
InChIKeyMKVUJZBLGXVQST-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.97
Rot. Bonds2

About 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole

2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole (PubChem CID 155202614) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole
PubChem CID155202614
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole
SMILESCC(C)(C)c1nc(C2(CF)CC2)co1
InChIInChI=1S/C11H16FNO/c1-10(2,3)9-13-8(6-14-9)11(7-12)4-5-11/h6H,4-5,7H2,1-3H3
InChIKeyMKVUJZBLGXVQST-UHFFFAOYSA-N
XLogP2.97
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-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-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole?
The IUPAC name of 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole (CID 155202614) is 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole is CC(C)(C)c1nc(C2(CF)CC2)co1.
What is the InChIKey of 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole?
The InChIKey is MKVUJZBLGXVQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-10(2,3)9-13-8(6-14-9)11(7-12)4-5-11/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole?
2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole has a molecular weight of 197.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole is sourced from PubChem (CID 155202614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).