N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide

C17H19N3O3 — CID 84592310

IUPACN-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C17H19N3O3/c1-12-15(18-11-23-12)16(21)19-14-8-5-9-20(17(14)22)10-13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10H2,1H3,(H,19,21)
InChIKeyYQLUTLVTCOLWOI-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.90
Rot. Bonds4

About N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide

N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 84592310) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID84592310
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C17H19N3O3/c1-12-15(18-11-23-12)16(21)19-14-8-5-9-20(17(14)22)10-13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10H2,1H3,(H,19,21)
InChIKeyYQLUTLVTCOLWOI-UHFFFAOYSA-N
XLogP1.90
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 136518534
5-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 45215528
[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 95323240
4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56708853
(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871
2-acetamido-N-[(3S)-1-benzyl-2-oxoazepan-3-yl]propanamide
CID 59872516
N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 75395006
(3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide
CID 97315039
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235
1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one
CID 166257296
N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide
CID 51127250
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide (CID 84592310) is N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC1CCCN(Cc2ccccc2)C1=O.
What is the InChIKey of N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is YQLUTLVTCOLWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-15(18-11-23-12)16(21)19-14-8-5-9-20(17(14)22)10-13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10H2,1H3,(H,19,21).
What are the key properties of N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide?
N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84592310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).