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

C14H15ClN2O — CID 46785780

IUPAC5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole
SMILESClc1ccc(-c2cc(C3CCCCN3)no2)cc1
InChIInChI=1S/C14H15ClN2O/c15-11-6-4-10(5-7-11)14-9-13(17-18-14)12-3-1-2-8-16-12/h4-7,9,12,16H,1-3,8H2
InChIKeyCRKRBQLBIBSXCA-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.81
Rot. Bonds2

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

5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole (PubChem CID 46785780) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole
PubChem CID46785780
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole
SMILESClc1ccc(-c2cc(C3CCCCN3)no2)cc1
InChIInChI=1S/C14H15ClN2O/c15-11-6-4-10(5-7-11)14-9-13(17-18-14)12-3-1-2-8-16-12/h4-7,9,12,16H,1-3,8H2
InChIKeyCRKRBQLBIBSXCA-UHFFFAOYSA-N
XLogP3.81
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-azepan-2-yl]-5-(1,3-benzodioxol-5-yl)-1,2-oxazole
CID 92571981
3-(azepan-2-yl)-5-(2-methylphenyl)-1,2-oxazole
CID 46785763
3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole
CID 46785750
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-[3-[(2R)-piperidin-2-yl]-1,2-oxazol-5-yl]ethanol
CID 92615014
5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole
CID 46785770
5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119513121
3-piperidin-2-yl-1,2-oxazole
CID 57061053
5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
CID 42575806
4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole
CID 62539823
2-(azepan-2-yl)-5-chloro-1,3-benzothiazole
CID 64560708
6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982464

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole (CID 46785780) is 5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole is Clc1ccc(-c2cc(C3CCCCN3)no2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole?
The InChIKey is CRKRBQLBIBSXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-11-6-4-10(5-7-11)14-9-13(17-18-14)12-3-1-2-8-16-12/h4-7,9,12,16H,1-3,8H2.
What are the key properties of 5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole?
5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole has a molecular weight of 262.74 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole is sourced from PubChem (CID 46785780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).