2-[cyclopentyl(difluoro)methyl]-1,3-oxazole

C9H11F2NO — CID 137371601

IUPAC2-[cyclopentyl(difluoro)methyl]-1,3-oxazole
SMILESFC(F)(c1ncco1)C1CCCC1
InChIInChI=1S/C9H11F2NO/c10-9(11,7-3-1-2-4-7)8-12-5-6-13-8/h5-7H,1-4H2
InChIKeyUAIJCENBWHMTGK-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.96
Rot. Bonds2

About 2-[cyclopentyl(difluoro)methyl]-1,3-oxazole

2-[cyclopentyl(difluoro)methyl]-1,3-oxazole (PubChem CID 137371601) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[cyclopentyl(difluoro)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[cyclopentyl(difluoro)methyl]-1,3-oxazole
PubChem CID137371601
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[cyclopentyl(difluoro)methyl]-1,3-oxazole
SMILESFC(F)(c1ncco1)C1CCCC1
InChIInChI=1S/C9H11F2NO/c10-9(11,7-3-1-2-4-7)8-12-5-6-13-8/h5-7H,1-4H2
InChIKeyUAIJCENBWHMTGK-UHFFFAOYSA-N
XLogP2.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(difluoro)methyl]-1,3-oxazole?
The IUPAC name of 2-[cyclopentyl(difluoro)methyl]-1,3-oxazole (CID 137371601) is 2-[cyclopentyl(difluoro)methyl]-1,3-oxazole.
What is the SMILES notation for 2-[cyclopentyl(difluoro)methyl]-1,3-oxazole?
The canonical SMILES for 2-[cyclopentyl(difluoro)methyl]-1,3-oxazole is FC(F)(c1ncco1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(difluoro)methyl]-1,3-oxazole?
The InChIKey is UAIJCENBWHMTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c10-9(11,7-3-1-2-4-7)8-12-5-6-13-8/h5-7H,1-4H2.
What are the key properties of 2-[cyclopentyl(difluoro)methyl]-1,3-oxazole?
2-[cyclopentyl(difluoro)methyl]-1,3-oxazole has a molecular weight of 187.19 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(difluoro)methyl]-1,3-oxazole is sourced from PubChem (CID 137371601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).