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

C22H23ClN4O4 — CID 55519464

IUPAC1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)no1
InChIInChI=1S/C22H23ClN4O4/c1-14-12-19(26-31-14)25-22(29)16-8-10-27(11-9-16)21(28)7-6-20-24-13-18(30-20)15-2-4-17(23)5-3-15/h2-5,12-13,16H,6-11H2,1H3,(H,25,26,29)
InChIKeyIEGIWQSDFJPGLF-UHFFFAOYSA-N
MW442.90 g/mol
LogP4.10
Rot. Bonds6

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

1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 55519464) has the molecular formula C22H23ClN4O4 and a molecular weight of 442.90 g/mol. Its IUPAC name is 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID55519464
Molecular FormulaC22H23ClN4O4
Molecular Weight442.90 g/mol
Exact Mass442.14
IUPAC Name1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)no1
InChIInChI=1S/C22H23ClN4O4/c1-14-12-19(26-31-14)25-22(29)16-8-10-27(11-9-16)21(28)7-6-20-24-13-18(30-20)15-2-4-17(23)5-3-15/h2-5,12-13,16H,6-11H2,1H3,(H,25,26,29)
InChIKeyIEGIWQSDFJPGLF-UHFFFAOYSA-N
XLogP4.10
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-4-carboxamide
CID 55519665
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888753
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46434985
1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
CID 30901863
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119539972
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55818394
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 38491702
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119484802
1-[3-(2-methoxyphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55526497
N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 38326510
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119396415

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 55519464) is 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)no1.
What is the InChIKey of 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is IEGIWQSDFJPGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4/c1-14-12-19(26-31-14)25-22(29)16-8-10-27(11-9-16)21(28)7-6-20-24-13-18(30-20)15-2-4-17(23)5-3-15/h2-5,12-13,16H,6-11H2,1H3,(H,25,26,29).
What are the key properties of 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 442.90 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55519464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).