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

C20H25N3O3 — CID 71837826

IUPACN,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1
InChIInChI=1S/C20H25N3O3/c1-13-5-7-16(8-6-13)19(24)23-11-9-15(10-12-23)18-21-17(14(2)26-18)20(25)22(3)4/h5-8,15H,9-12H2,1-4H3
InChIKeyQWZLROXLHXIAQD-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.01
Rot. Bonds3

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

N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 71837826) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID71837826
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1
InChIInChI=1S/C20H25N3O3/c1-13-5-7-16(8-6-13)19(24)23-11-9-15(10-12-23)18-21-17(14(2)26-18)20(25)22(3)4/h5-8,15H,9-12H2,1-4H3
InChIKeyQWZLROXLHXIAQD-UHFFFAOYSA-N
XLogP3.01
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837884
(4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837767
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
(3,5-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837745
(4-ethoxyphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837791
2-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53168354
(2,4-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837736
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-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99963299

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide (CID 71837826) is N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide is Cc1ccc(C(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1.
What is the InChIKey of N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is QWZLROXLHXIAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-5-7-16(8-6-13)19(24)23-11-9-15(10-12-23)18-21-17(14(2)26-18)20(25)22(3)4/h5-8,15H,9-12H2,1-4H3.
What are the key properties of N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71837826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).