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

C9H12F3NO — CID 169163289

IUPAC4-(difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1oc(C(C)F)nc1C(F)F
InChIInChI=1S/C9H12F3NO/c1-4(2)7-6(8(11)12)13-9(14-7)5(3)10/h4-5,8H,1-3H3
InChIKeyJLWWTEIGSFFLGI-UHFFFAOYSA-N
MW207.19 g/mol
LogP3.77
Rot. Bonds3

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

4-(difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole (PubChem CID 169163289) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole
PubChem CID169163289
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name4-(difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1oc(C(C)F)nc1C(F)F
InChIInChI=1S/C9H12F3NO/c1-4(2)7-6(8(11)12)13-9(14-7)5(3)10/h4-5,8H,1-3H3
InChIKeyJLWWTEIGSFFLGI-UHFFFAOYSA-N
XLogP3.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethyl)-2-(1-fluoroethyl)-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

Related Compounds

4-Ethyl-2,5-dimethyloxazole
CID 121694
2-Ethyl-4-methyl-5-propyloxazole
CID 525780
2-Butyl-5-ethyl-4-methyl-1,3-oxazole
CID 580388
2,4-Dimethyl-5-propyloxazole
CID 525774
2-Butyl-4,5-diethyloxazole
CID 525778
2-Butyl-4-ethyl-5-methyl-1,3-oxazole
CID 580707
4-Ethyl-5-methyl-2-(1-methylethyl)oxazole
CID 586689
5-Ethyl-2,4-dimethyloxazole
CID 525776
5-Ethyl-2-isopropyl-4-methyloxazole
CID 586570
4,5-Diethyl-2-methyloxazole
CID 57112222
4-Ethyl-5-methyl-2-propyloxazole
CID 580375
2,4,5-Triethyloxazole
CID 3016238

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole (CID 169163289) is 4-(difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole is CC(C)c1oc(C(C)F)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole?
The InChIKey is JLWWTEIGSFFLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-4(2)7-6(8(11)12)13-9(14-7)5(3)10/h4-5,8H,1-3H3.
What are the key properties of 4-(difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole?
4-(difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole has a molecular weight of 207.19 g/mol, XLogP of 3.77, 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-fluoroethyl)-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 169163289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).