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

C17H19N3O3 — CID 35277906

IUPAC3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)on1
InChIInChI=1S/C17H19N3O3/c1-12-11-15(23-19-12)16(21)18-14-8-4-3-7-13(14)17(22)20-9-5-2-6-10-20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,21)
InChIKeyABPAZJWWRMMIRI-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.86
Rot. Bonds3

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

3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 35277906) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID35277906
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)on1
InChIInChI=1S/C17H19N3O3/c1-12-11-15(23-19-12)16(21)18-14-8-4-3-7-13(14)17(22)20-9-5-2-6-10-20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,21)
InChIKeyABPAZJWWRMMIRI-UHFFFAOYSA-N
XLogP2.86
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911360
3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911430
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275053
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905415
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 34746741
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880181
N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide
CID 51250800

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide (CID 35277906) is 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)on1.
What is the InChIKey of 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ABPAZJWWRMMIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-11-15(23-19-12)16(21)18-14-8-4-3-7-13(14)17(22)20-9-5-2-6-10-20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,21).
What are the key properties of 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 35277906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).