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

C14H17ClN2O — CID 115061354

IUPAC5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
SMILESClc1ccccc1C1CN=C(C2CCCNC2)O1
InChIInChI=1S/C14H17ClN2O/c15-12-6-2-1-5-11(12)13-9-17-14(18-13)10-4-3-7-16-8-10/h1-2,5-6,10,13,16H,3-4,7-9H2
InChIKeyQPAGYUBRZNRCSK-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.81
Rot. Bonds2

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

5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole (PubChem CID 115061354) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
PubChem CID115061354
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
SMILESClc1ccccc1C1CN=C(C2CCCNC2)O1
InChIInChI=1S/C14H17ClN2O/c15-12-6-2-1-5-11(12)13-9-17-14(18-13)10-4-3-7-16-8-10/h1-2,5-6,10,13,16H,3-4,7-9H2
InChIKeyQPAGYUBRZNRCSK-UHFFFAOYSA-N
XLogP2.81
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylphenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061345
5-(3-methoxyphenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061350
3-(2,3-dichlorophenyl)piperidine
CID 24904244
4-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol
CID 84695685
3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol
CID 84695684
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
ethane;3-(2-methylphenyl)piperidine
CID 144655647
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026121
3-chloro-4-piperidin-3-ylpyridine
CID 82399188
(3S)-3-(5-bromo-2-chlorophenyl)piperidine
CID 130619016
4-chloro-3-piperidin-3-ylphenol
CID 84678781
[2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 119318503

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole (CID 115061354) is 5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole is Clc1ccccc1C1CN=C(C2CCCNC2)O1.
What is the InChIKey of 5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is QPAGYUBRZNRCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-6-2-1-5-11(12)13-9-17-14(18-13)10-4-3-7-16-8-10/h1-2,5-6,10,13,16H,3-4,7-9H2.
What are the key properties of 5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole?
5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 264.76 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 115061354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).