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

C14H17ClN2O — CID 115061491

IUPAC5-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole
SMILESClc1cccc(C2CN=C(C3CCNCC3)O2)c1
InChIInChI=1S/C14H17ClN2O/c15-12-3-1-2-11(8-12)13-9-17-14(18-13)10-4-6-16-7-5-10/h1-3,8,10,13,16H,4-7,9H2
InChIKeyOGBPXWTWSLOFGH-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.81
Rot. Bonds2

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

5-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole (PubChem CID 115061491) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole
PubChem CID115061491
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name5-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole
SMILESClc1cccc(C2CN=C(C3CCNCC3)O2)c1
InChIInChI=1S/C14H17ClN2O/c15-12-3-1-2-11(8-12)13-9-17-14(18-13)10-4-6-16-7-5-10/h1-3,8,10,13,16H,4-7,9H2
InChIKeyOGBPXWTWSLOFGH-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

3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol
CID 84695684
5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole
CID 115061504
5-(4-methoxyphenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole
CID 115061508
5-(3-methylphenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061345
4-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol
CID 84695685
2-[5-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
CID 84701520
(7S)-7-(3-chlorophenyl)-1,4-thiazepane
CID 97102826
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
5-(3-chlorophenyl)-1,3-oxazolidine
CID 15261641
3-(3-chlorophenyl)azetidine;hydrochloride
CID 72698856
5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061354
4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 115053603

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole (CID 115061491) is 5-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole is Clc1cccc(C2CN=C(C3CCNCC3)O2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is OGBPXWTWSLOFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-3-1-2-11(8-12)13-9-17-14(18-13)10-4-6-16-7-5-10/h1-3,8,10,13,16H,4-7,9H2.
What are the key properties of 5-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole?
5-(3-chlorophenyl)-2-piperidin-4-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-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 115061491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).