2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

C17H22FNO — CID 18630289

IUPAC2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2c(F)cccc2C2(C)CCCC2)=N1
InChIInChI=1S/C17H22FNO/c1-16(2)11-20-15(19-16)14-12(7-6-8-13(14)18)17(3)9-4-5-10-17/h6-8H,4-5,9-11H2,1-3H3
InChIKeyKSINCUVINHGSFP-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.21
Rot. Bonds2

About 2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 18630289) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID18630289
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2c(F)cccc2C2(C)CCCC2)=N1
InChIInChI=1S/C17H22FNO/c1-16(2)11-20-15(19-16)14-12(7-6-8-13(14)18)17(3)9-4-5-10-17/h6-8H,4-5,9-11H2,1-3H3
InChIKeyKSINCUVINHGSFP-UHFFFAOYSA-N
XLogP4.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 18630289) is 2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2c(F)cccc2C2(C)CCCC2)=N1.
What is the InChIKey of 2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is KSINCUVINHGSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-16(2)11-20-15(19-16)14-12(7-6-8-13(14)18)17(3)9-4-5-10-17/h6-8H,4-5,9-11H2,1-3H3.
What are the key properties of 2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 275.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 18630289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).