5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole

C13H17F2NO — CID 134400416

IUPAC5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole
SMILESCc1c(C2CCC(F)(F)CC2)noc1C1CC1
InChIInChI=1S/C13H17F2NO/c1-8-11(16-17-12(8)10-2-3-10)9-4-6-13(14,15)7-5-9/h9-10H,2-7H2,1H3
InChIKeyVZYBTZABRZCGPU-UHFFFAOYSA-N
MW241.28 g/mol
LogP4.15
Rot. Bonds2

About 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole

5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole (PubChem CID 134400416) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole
PubChem CID134400416
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole
SMILESCc1c(C2CCC(F)(F)CC2)noc1C1CC1
InChIInChI=1S/C13H17F2NO/c1-8-11(16-17-12(8)10-2-3-10)9-4-6-13(14,15)7-5-9/h9-10H,2-7H2,1H3
InChIKeyVZYBTZABRZCGPU-UHFFFAOYSA-N
XLogP4.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole (CID 134400416) is 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole is Cc1c(C2CCC(F)(F)CC2)noc1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole?
The InChIKey is VZYBTZABRZCGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-8-11(16-17-12(8)10-2-3-10)9-4-6-13(14,15)7-5-9/h9-10H,2-7H2,1H3.
What are the key properties of 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole?
5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole has a molecular weight of 241.28 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole is sourced from PubChem (CID 134400416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).