4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole

C15H17FN2O — CID 115053954

IUPAC4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole
SMILESFc1ccc(-c2cnoc2CC2CCCCN2)cc1
InChIInChI=1S/C15H17FN2O/c16-12-6-4-11(5-7-12)14-10-18-19-15(14)9-13-3-1-2-8-17-13/h4-7,10,13,17H,1-3,8-9H2
InChIKeyFJFAXKJQCZDCBV-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.17
Rot. Bonds3

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

4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole (PubChem CID 115053954) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole
PubChem CID115053954
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole
SMILESFc1ccc(-c2cnoc2CC2CCCCN2)cc1
InChIInChI=1S/C15H17FN2O/c16-12-6-4-11(5-7-12)14-10-18-19-15(14)9-13-3-1-2-8-17-13/h4-7,10,13,17H,1-3,8-9H2
InChIKeyFJFAXKJQCZDCBV-UHFFFAOYSA-N
XLogP3.17
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 115054009
2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol
CID 115053966
2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine
CID 115053619
4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115033595
[5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine
CID 115093549
4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 115054022
6-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308307
5-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308308
4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole
CID 115003868
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115054030
2-[(2,3,5-trifluorophenyl)methyl]piperidine
CID 117118174

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole (CID 115053954) is 4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole is Fc1ccc(-c2cnoc2CC2CCCCN2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole?
The InChIKey is FJFAXKJQCZDCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c16-12-6-4-11(5-7-12)14-10-18-19-15(14)9-13-3-1-2-8-17-13/h4-7,10,13,17H,1-3,8-9H2.
What are the key properties of 4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole?
4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole has a molecular weight of 260.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 115053954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).