5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide

C19H19N3O2 — CID 123927254

IUPAC5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide
SMILESCc1ccnc(C)c1CNC(=O)c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C19H19N3O2/c1-13-8-9-20-14(2)17(13)12-21-18(23)19-22-11-16(24-19)10-15-6-4-3-5-7-15/h3-9,11H,10,12H2,1-2H3,(H,21,23)
InChIKeyXGRHFPOKGGYTQI-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.21
Rot. Bonds5

About 5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide

5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide (PubChem CID 123927254) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide
PubChem CID123927254
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide
SMILESCc1ccnc(C)c1CNC(=O)c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C19H19N3O2/c1-13-8-9-20-14(2)17(13)12-21-18(23)19-22-11-16(24-19)10-15-6-4-3-5-7-15/h3-9,11H,10,12H2,1-2H3,(H,21,23)
InChIKeyXGRHFPOKGGYTQI-UHFFFAOYSA-N
XLogP3.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,3-dimethylpyridine-4-carboxamide
CID 110850641
5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide
CID 169300442
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide
CID 56836124
N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 16949912
5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-oxazole-2-carboxamide
CID 130299225
2-amino-N-[(5-benzylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 23130667
5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide
CID 68802211
(2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 141454292
N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide
CID 140579946
1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one
CID 115086676
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylacetamide
CID 110660350

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide (CID 123927254) is 5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide is Cc1ccnc(C)c1CNC(=O)c1ncc(Cc2ccccc2)o1.
What is the InChIKey of 5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide?
The InChIKey is XGRHFPOKGGYTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-8-9-20-14(2)17(13)12-21-18(23)19-22-11-16(24-19)10-15-6-4-3-5-7-15/h3-9,11H,10,12H2,1-2H3,(H,21,23).
What are the key properties of 5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide?
5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(2,4-dimethyl-3-pyridinyl)methyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 123927254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).