2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

C21H27N3O3 — CID 71837884

IUPAC2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ccc(C(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-5-15-6-8-17(9-7-15)20(25)24-12-10-16(11-13-24)19-22-18(14(2)27-19)21(26)23(3)4/h6-9,16H,5,10-13H2,1-4H3
InChIKeyYWNPJIFGGBWCOP-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.27
Rot. Bonds4

About 2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 71837884) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID71837884
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ccc(C(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-5-15-6-8-17(9-7-15)20(25)24-12-10-16(11-13-24)19-22-18(14(2)27-19)21(26)23(3)4/h6-9,16H,5,10-13H2,1-4H3
InChIKeyYWNPJIFGGBWCOP-UHFFFAOYSA-N
XLogP3.27
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 71837826
2-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53168354
(4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837767
(4-ethoxyphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837791
N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 71837841
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837876
2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837657
2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53168352
N,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 53168509
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
(3,5-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837745
(3-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837668

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (CID 71837884) is 2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is CCc1ccc(C(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1.
What is the InChIKey of 2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is YWNPJIFGGBWCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-15-6-8-17(9-7-15)20(25)24-12-10-16(11-13-24)19-22-18(14(2)27-19)21(26)23(3)4/h6-9,16H,5,10-13H2,1-4H3.
What are the key properties of 2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71837884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).