5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide

C20H21N3O2 — CID 46964091

IUPAC5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide
SMILESCc1cccc(-c2noc(C)c2C(=O)NCCCc2ccccn2)c1
InChIInChI=1S/C20H21N3O2/c1-14-7-5-8-16(13-14)19-18(15(2)25-23-19)20(24)22-12-6-10-17-9-3-4-11-21-17/h3-5,7-9,11,13H,6,10,12H2,1-2H3,(H,22,24)
InChIKeyYZOBSADQERVICT-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.72
Rot. Bonds6

About 5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide

5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide (PubChem CID 46964091) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide
PubChem CID46964091
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide
SMILESCc1cccc(-c2noc(C)c2C(=O)NCCCc2ccccn2)c1
InChIInChI=1S/C20H21N3O2/c1-14-7-5-8-16(13-14)19-18(15(2)25-23-19)20(24)22-12-6-10-17-9-3-4-11-21-17/h3-5,7-9,11,13H,6,10,12H2,1-2H3,(H,22,24)
InChIKeyYZOBSADQERVICT-UHFFFAOYSA-N
XLogP3.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]-1,2-oxazole-4-carboxamide
CID 57328394
4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 121498886
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805509
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 46652667
2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
CID 70769275
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 70761609

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide (CID 46964091) is 5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide is Cc1cccc(-c2noc(C)c2C(=O)NCCCc2ccccn2)c1.
What is the InChIKey of 5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide?
The InChIKey is YZOBSADQERVICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-7-5-8-16(13-14)19-18(15(2)25-23-19)20(24)22-12-6-10-17-9-3-4-11-21-17/h3-5,7-9,11,13H,6,10,12H2,1-2H3,(H,22,24).
What are the key properties of 5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide?
5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46964091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).