5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide

C20H20N4O3 — CID 46141727

IUPAC5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCC(=O)NCc3cccnc3)no2)cc1
InChIInChI=1S/C20H20N4O3/c1-14-4-6-16(7-5-14)18-11-17(24-27-18)20(26)22-10-8-19(25)23-13-15-3-2-9-21-12-15/h2-7,9,11-12H,8,10,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyBUNHTDXDIPYTOE-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.48
Rot. Bonds7

About 5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide

5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 46141727) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
PubChem CID46141727
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCC(=O)NCc3cccnc3)no2)cc1
InChIInChI=1S/C20H20N4O3/c1-14-4-6-16(7-5-14)18-11-17(24-27-18)20(26)22-10-8-19(25)23-13-15-3-2-9-21-12-15/h2-7,9,11-12H,8,10,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyBUNHTDXDIPYTOE-UHFFFAOYSA-N
XLogP2.48
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 51069948
2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 60612809
2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide
CID 17015882
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 47076367
5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 118877101
N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105
5-[(2,6-dimethylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 25275496
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
5-(4-methylphenyl)-N-[(4-propanoylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 158316284

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide (CID 46141727) is 5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCC(=O)NCc3cccnc3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BUNHTDXDIPYTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-4-6-16(7-5-14)18-11-17(24-27-18)20(26)22-10-8-19(25)23-13-15-3-2-9-21-12-15/h2-7,9,11-12H,8,10,13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide?
5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46141727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).