1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide

C26H29N3O3 — CID 24816654

IUPAC1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
SMILESCCc1nc(C)c(C(=O)N2CCCC(C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)o1
InChIInChI=1S/C26H29N3O3/c1-4-23-27-18(3)24(32-23)26(31)29-13-7-11-21(16-29)25(30)28-22-12-6-10-20(15-22)19-9-5-8-17(2)14-19/h5-6,8-10,12,14-15,21H,4,7,11,13,16H2,1-3H3,(H,28,30)
InChIKeyYLNTWJCSICLESN-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.01
Rot. Bonds5

About 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide

1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide (PubChem CID 24816654) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
PubChem CID24816654
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
SMILESCCc1nc(C)c(C(=O)N2CCCC(C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)o1
InChIInChI=1S/C26H29N3O3/c1-4-23-27-18(3)24(32-23)26(31)29-13-7-11-21(16-29)25(30)28-22-12-6-10-20(15-22)19-9-5-8-17(2)14-19/h5-6,8-10,12,14-15,21H,4,7,11,13,16H2,1-3H3,(H,28,30)
InChIKeyYLNTWJCSICLESN-UHFFFAOYSA-N
XLogP5.01
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,6-Dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511262
(2-Methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 71511264
[4-(2,4-Dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511265
[4-(3,4-Dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511266
[4-(2,3-Dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511267
[4-(3,5-Dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511298
3-[4-(2-Methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide
CID 71511328
N-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 71511349
N-([1,1'-biphenyl]-2-yl)-4-methyloxazole-5-carboxamide
CID 3236618
N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 3240995
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726
N-(3,3-diphenylpropyl)-4-methyloxazole-5-carboxamide
CID 6622658

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide (CID 24816654) is 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide is CCc1nc(C)c(C(=O)N2CCCC(C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)o1.
What is the InChIKey of 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
The InChIKey is YLNTWJCSICLESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-4-23-27-18(3)24(32-23)26(31)29-13-7-11-21(16-29)25(30)28-22-12-6-10-20(15-22)19-9-5-8-17(2)14-19/h5-6,8-10,12,14-15,21H,4,7,11,13,16H2,1-3H3,(H,28,30).
What are the key properties of 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 24816654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).