1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide

C24H25N3O3 — CID 24817772

IUPAC1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)C3CCCN(C(=O)c4ocnc4C)C3)c2)c1
InChIInChI=1S/C24H25N3O3/c1-16-6-3-7-18(12-16)19-8-4-10-21(13-19)26-23(28)20-9-5-11-27(14-20)24(29)22-17(2)25-15-30-22/h3-4,6-8,10,12-13,15,20H,5,9,11,14H2,1-2H3,(H,26,28)
InChIKeyZYKNHIFXGDEZJI-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.45
Rot. Bonds4

About 1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide

1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide (PubChem CID 24817772) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
PubChem CID24817772
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)C3CCCN(C(=O)c4ocnc4C)C3)c2)c1
InChIInChI=1S/C24H25N3O3/c1-16-6-3-7-18(12-16)19-8-4-10-21(13-19)26-23(28)20-9-5-11-27(14-20)24(29)22-17(2)25-15-30-22/h3-4,6-8,10,12-13,15,20H,5,9,11,14H2,1-2H3,(H,26,28)
InChIKeyZYKNHIFXGDEZJI-UHFFFAOYSA-N
XLogP4.45
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-([1,1'-biphenyl]-2-yl)-4-methyloxazole-5-carboxamide
CID 3236618
N-(3,3-diphenylpropyl)-4-methyloxazole-5-carboxamide
CID 6622658
Biphenyl-4-yl{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]piperidin-3-yl}methanone
CID 16188565
{1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}[4-(trifluoromethyl)phenyl]methanone
CID 16188819
N-(2-fluorobenzyl)-3-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]piperidin-3-yl}propanamide
CID 16191096
1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-N-(3'-methyl-3-biphenylyl)-3-piperidinecarboxamide
CID 24816654
N-(3,3-diphenylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113431
{1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]piperidin-3-yl}(1-naphthyl)methanone
CID 16187257
{1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]piperidin-3-yl}[3-(trifluoromethyl)phenyl]methanone
CID 16190488
1-{1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}-4-(2-methylphenyl)piperazine
CID 24791785
N-1,1'-biphenyl-2-yl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 3237282
N-[2-(aminocarbonyl)phenyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 3242953

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide (CID 24817772) is 1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide is Cc1cccc(-c2cccc(NC(=O)C3CCCN(C(=O)c4ocnc4C)C3)c2)c1.
What is the InChIKey of 1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
The InChIKey is ZYKNHIFXGDEZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-6-3-7-18(12-16)19-8-4-10-21(13-19)26-23(28)20-9-5-11-27(14-20)24(29)22-17(2)25-15-30-22/h3-4,6-8,10,12-13,15,20H,5,9,11,14H2,1-2H3,(H,26,28).
What are the key properties of 1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 24817772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).