2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone

C17H19ClN2O2 — CID 16878575

IUPAC2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2cc(-c3ccc(Cl)cc3)on2)C1
InChIInChI=1S/C17H19ClN2O2/c1-12-3-2-8-20(11-12)17(21)10-15-9-16(22-19-15)13-4-6-14(18)7-5-13/h4-7,9,12H,2-3,8,10-11H2,1H3
InChIKeyFPOVRCWCZFDWTN-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.80
Rot. Bonds3

About 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 16878575) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID16878575
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2cc(-c3ccc(Cl)cc3)on2)C1
InChIInChI=1S/C17H19ClN2O2/c1-12-3-2-8-20(11-12)17(21)10-15-9-16(22-19-15)13-4-6-14(18)7-5-13/h4-7,9,12H,2-3,8,10-11H2,1H3
InChIKeyFPOVRCWCZFDWTN-UHFFFAOYSA-N
XLogP3.80
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone
CID 16878729
1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide
CID 16878731
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 3593646
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 95147475
2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 154873747
1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
CID 16878754
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16878635
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
CID 110313081
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 46627561
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51564093
2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone
CID 112779660
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110334636

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone (CID 16878575) is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)Cc2cc(-c3ccc(Cl)cc3)on2)C1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is FPOVRCWCZFDWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-3-2-8-20(11-12)17(21)10-15-9-16(22-19-15)13-4-6-14(18)7-5-13/h4-7,9,12H,2-3,8,10-11H2,1H3.
What are the key properties of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone?
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 318.80 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 16878575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).