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

C14H15FN2O — CID 115003798

IUPAC4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole
SMILESFc1cccc(-c2cnoc2C2CCCNC2)c1
InChIInChI=1S/C14H15FN2O/c15-12-5-1-3-10(7-12)13-9-17-18-14(13)11-4-2-6-16-8-11/h1,3,5,7,9,11,16H,2,4,6,8H2
InChIKeyPZTASCOOZHZPPJ-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.95
Rot. Bonds2

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

4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole (PubChem CID 115003798) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole
PubChem CID115003798
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole
SMILESFc1cccc(-c2cnoc2C2CCCNC2)c1
InChIInChI=1S/C14H15FN2O/c15-12-5-1-3-10(7-12)13-9-17-18-14(13)11-4-2-6-16-8-11/h1,3,5,7,9,11,16H,2,4,6,8H2
InChIKeyPZTASCOOZHZPPJ-UHFFFAOYSA-N
XLogP2.95
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole
CID 115038784
4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003500
4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003871
4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115054030
3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole
CID 95857102
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115053948
5-chloro-4-(3-fluorophenyl)-1,2-oxazole
CID 84667900
4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol
CID 115037744
4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine
CID 124746275
(3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 124858934
2-(3-fluorophenoxy)-6-[(3R)-piperidin-3-yl]pyrazine
CID 124938776

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole?
The IUPAC name of 4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole (CID 115003798) is 4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole.
What is the SMILES notation for 4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole?
The canonical SMILES for 4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole is Fc1cccc(-c2cnoc2C2CCCNC2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole?
The InChIKey is PZTASCOOZHZPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-12-5-1-3-10(7-12)13-9-17-18-14(13)11-4-2-6-16-8-11/h1,3,5,7,9,11,16H,2,4,6,8H2.
What are the key properties of 4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole?
4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole has a molecular weight of 246.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole is sourced from PubChem (CID 115003798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).