1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide

C17H18ClN3O3 — CID 16878731

IUPAC1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C17H18ClN3O3/c18-13-3-1-11(2-4-13)15-9-14(20-24-15)10-16(22)21-7-5-12(6-8-21)17(19)23/h1-4,9,12H,5-8,10H2,(H2,19,23)
InChIKeyXZBJMJNVBMDYJI-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.26
Rot. Bonds4

About 1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide

1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide (PubChem CID 16878731) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide
PubChem CID16878731
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C17H18ClN3O3/c18-13-3-1-11(2-4-13)15-9-14(20-24-15)10-16(22)21-7-5-12(6-8-21)17(19)23/h1-4,9,12H,5-8,10H2,(H2,19,23)
InChIKeyXZBJMJNVBMDYJI-UHFFFAOYSA-N
XLogP2.26
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]piperidine-4-carboxamide
CID 16879586
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 16878575
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110316706
1-[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]piperidine-4-carboxamide
CID 20906225
1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide
CID 122175637
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperidine-4-carboxamide
CID 46429860
1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide
CID 70785942
1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide
CID 110767679
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
CID 110313081

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide (CID 16878731) is 1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cc2cc(-c3ccc(Cl)cc3)on2)CC1.
What is the InChIKey of 1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is XZBJMJNVBMDYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-13-3-1-11(2-4-13)15-9-14(20-24-15)10-16(22)21-7-5-12(6-8-21)17(19)23/h1-4,9,12H,5-8,10H2,(H2,19,23).
What are the key properties of 1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide?
1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 16878731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).