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

C19H22ClN3O3 — CID 30888753

IUPAC1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C19H22ClN3O3/c1-21-19(25)14-8-10-23(11-9-14)18(24)7-6-17-22-12-16(26-17)13-2-4-15(20)5-3-13/h2-5,12,14H,6-11H2,1H3,(H,21,25)
InChIKeyONWZDCCYYMRQOM-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.91
Rot. Bonds5

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

1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide (PubChem CID 30888753) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
PubChem CID30888753
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C19H22ClN3O3/c1-21-19(25)14-8-10-23(11-9-14)18(24)7-6-17-22-12-16(26-17)13-2-4-15(20)5-3-13/h2-5,12,14H,6-11H2,1H3,(H,21,25)
InChIKeyONWZDCCYYMRQOM-UHFFFAOYSA-N
XLogP2.91
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
CID 30901863
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55519464
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542755
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119539972
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46434985
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119396415
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119484802
1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
CID 119560940
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 38491702
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[(2R)-2-methylmorpholin-4-yl]propan-1-one
CID 30176196
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 16594239
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-4-carboxamide
CID 55519665

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide (CID 30888753) is 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is ONWZDCCYYMRQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-21-19(25)14-8-10-23(11-9-14)18(24)7-6-17-22-12-16(26-17)13-2-4-15(20)5-3-13/h2-5,12,14H,6-11H2,1H3,(H,21,25).
What are the key properties of 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide?
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 30888753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).