3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole

C12H16F3NO — CID 174938199

IUPAC3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole
SMILESCCCCCC1(C(F)(F)F)CC1c1ccon1
InChIInChI=1S/C12H16F3NO/c1-2-3-4-6-11(12(13,14)15)8-9(11)10-5-7-17-16-10/h5,7,9H,2-4,6,8H2,1H3
InChIKeyUJPQYXOYMVQXNR-UHFFFAOYSA-N
MW247.26 g/mol
LogP4.29
Rot. Bonds5

About 3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole

3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole (PubChem CID 174938199) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole
PubChem CID174938199
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole
SMILESCCCCCC1(C(F)(F)F)CC1c1ccon1
InChIInChI=1S/C12H16F3NO/c1-2-3-4-6-11(12(13,14)15)8-9(11)10-5-7-17-16-10/h5,7,9H,2-4,6,8H2,1H3
InChIKeyUJPQYXOYMVQXNR-UHFFFAOYSA-N
XLogP4.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole?
The IUPAC name of 3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole (CID 174938199) is 3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole.
What is the SMILES notation for 3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole?
The canonical SMILES for 3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole is CCCCCC1(C(F)(F)F)CC1c1ccon1.
What is the InChIKey of 3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole?
The InChIKey is UJPQYXOYMVQXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-2-3-4-6-11(12(13,14)15)8-9(11)10-5-7-17-16-10/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of 3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole?
3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole has a molecular weight of 247.26 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-pentyl-2-(trifluoromethyl)cyclopropyl]-1,2-oxazole is sourced from PubChem (CID 174938199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).