[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone

C15H15ClN2O3 — CID 75388459

IUPAC[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C15H15ClN2O3/c16-12-3-1-2-4-14(12)21-11-5-8-18(9-6-11)15(19)13-7-10-20-17-13/h1-4,7,10-11H,5-6,8-9H2
InChIKeyIEIVYNLHGIXTSS-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.01
Rot. Bonds3

About [4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone

[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone (PubChem CID 75388459) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is [4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
PubChem CID75388459
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C15H15ClN2O3/c16-12-3-1-2-4-14(12)21-11-5-8-18(9-6-11)15(19)13-7-10-20-17-13/h1-4,7,10-11H,5-6,8-9H2
InChIKeyIEIVYNLHGIXTSS-UHFFFAOYSA-N
XLogP3.01
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916
[4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 70765937
(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone
CID 91800796
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 70744636
1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone
CID 167761394
[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72865582
1-[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549413
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 70718116
(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 95861244
1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032522

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone (CID 75388459) is [4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone is O=C(c1ccon1)N1CCC(Oc2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The InChIKey is IEIVYNLHGIXTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-12-3-1-2-4-14(12)21-11-5-8-18(9-6-11)15(19)13-7-10-20-17-13/h1-4,7,10-11H,5-6,8-9H2.
What are the key properties of [4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone has a molecular weight of 306.75 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 75388459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).