4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole

C11H15F2NO — CID 169163269

IUPAC4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1oc(C2(C)CC2)nc1C(F)F
InChIInChI=1S/C11H15F2NO/c1-6(2)8-7(9(12)13)14-10(15-8)11(3)4-5-11/h6,9H,4-5H2,1-3H3
InChIKeyZLXMEUGLFJHJKF-UHFFFAOYSA-N
MW215.24 g/mol
LogP3.79
Rot. Bonds3

About 4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole

4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole (PubChem CID 169163269) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole
PubChem CID169163269
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1oc(C2(C)CC2)nc1C(F)F
InChIInChI=1S/C11H15F2NO/c1-6(2)8-7(9(12)13)14-10(15-8)11(3)4-5-11/h6,9H,4-5H2,1-3H3
InChIKeyZLXMEUGLFJHJKF-UHFFFAOYSA-N
XLogP3.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-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 4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole (CID 169163269) is 4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole is CC(C)c1oc(C2(C)CC2)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole?
The InChIKey is ZLXMEUGLFJHJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-6(2)8-7(9(12)13)14-10(15-8)11(3)4-5-11/h6,9H,4-5H2,1-3H3.
What are the key properties of 4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole?
4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole has a molecular weight of 215.24 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 169163269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).