2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile

C15H14FN3O — CID 940212

IUPAC2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2F)oc1N1CCCCC1
InChIInChI=1S/C15H14FN3O/c16-12-7-3-2-6-11(12)14-18-13(10-17)15(20-14)19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-9H2
InChIKeyOZYFPYKYSRZDLS-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.34
Rot. Bonds2

About 2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile

2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 940212) has the molecular formula C15H14FN3O and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID940212
Molecular FormulaC15H14FN3O
Molecular Weight271.29 g/mol
Exact Mass271.11
IUPAC Name2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2F)oc1N1CCCCC1
InChIInChI=1S/C15H14FN3O/c16-12-7-3-2-6-11(12)14-18-13(10-17)15(20-14)19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-9H2
InChIKeyOZYFPYKYSRZDLS-UHFFFAOYSA-N
XLogP3.34
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 18822634
5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
CID 946114
2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 661055
5-(azepan-1-yl)-2-(4-chlorophenyl)-1,3-oxazole-4-carbonitrile
CID 891749
2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 892116
1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide
CID 39315489
5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 891606
2-(2-chlorophenyl)-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 172898350
5-(azepan-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 2139834
2-(3-methyl-4-oxo-2-phenylchromen-8-yl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 45493268
2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
CID 18890231
5-(azepan-1-yl)-2-benzyl-1,3-oxazole-4-carbonitrile
CID 18822883

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (CID 940212) is 2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2F)oc1N1CCCCC1.
What is the InChIKey of 2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is OZYFPYKYSRZDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-12-7-3-2-6-11(12)14-18-13(10-17)15(20-14)19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 271.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 940212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).