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

C10H13F2NO — CID 169308427

IUPAC2-cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1oc(C2CC2)nc1C(F)F
InChIInChI=1S/C10H13F2NO/c1-5(2)8-7(9(11)12)13-10(14-8)6-3-4-6/h5-6,9H,3-4H2,1-2H3
InChIKeyDAFPITBEJAIJPW-UHFFFAOYSA-N
MW201.22 g/mol
LogP3.61
Rot. Bonds3

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

2-cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole (PubChem CID 169308427) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole
PubChem CID169308427
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1oc(C2CC2)nc1C(F)F
InChIInChI=1S/C10H13F2NO/c1-5(2)8-7(9(11)12)13-10(14-8)6-3-4-6/h5-6,9H,3-4H2,1-2H3
InChIKeyDAFPITBEJAIJPW-UHFFFAOYSA-N
XLogP3.61
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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 2-cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole (CID 169308427) is 2-cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole is CC(C)c1oc(C2CC2)nc1C(F)F.
What is the InChIKey of 2-cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole?
The InChIKey is DAFPITBEJAIJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-5(2)8-7(9(11)12)13-10(14-8)6-3-4-6/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole?
2-cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole has a molecular weight of 201.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 169308427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).