3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole

C14H17F2N3O — CID 175105730

IUPAC3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cc2nccn2C2CCCCC2(F)F)no1
InChIInChI=1S/C14H17F2N3O/c1-10-8-11(18-20-10)9-13-17-6-7-19(13)12-4-2-3-5-14(12,15)16/h6-8,12H,2-5,9H2,1H3
InChIKeyYSZMNQYGPOTHHT-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.52
Rot. Bonds3

About 3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole

3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 175105730) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID175105730
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cc2nccn2C2CCCCC2(F)F)no1
InChIInChI=1S/C14H17F2N3O/c1-10-8-11(18-20-10)9-13-17-6-7-19(13)12-4-2-3-5-14(12,15)16/h6-8,12H,2-5,9H2,1H3
InChIKeyYSZMNQYGPOTHHT-UHFFFAOYSA-N
XLogP3.52
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole (CID 175105730) is 3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(Cc2nccn2C2CCCCC2(F)F)no1.
What is the InChIKey of 3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is YSZMNQYGPOTHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-10-8-11(18-20-10)9-13-17-6-7-19(13)12-4-2-3-5-14(12,15)16/h6-8,12H,2-5,9H2,1H3.
What are the key properties of 3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole?
3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 281.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,2-difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 175105730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).