5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide

C17H14BrN3O2 — CID 110677073

IUPAC5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccc(Br)cc2)c1C(=O)NCc1cccnc1
InChIInChI=1S/C17H14BrN3O2/c1-11-15(17(22)20-10-12-3-2-8-19-9-12)16(23-21-11)13-4-6-14(18)7-5-13/h2-9H,10H2,1H3,(H,20,22)
InChIKeyXFMGCGDAXYYYDI-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.74
Rot. Bonds4

About 5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide

5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 110677073) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID110677073
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccc(Br)cc2)c1C(=O)NCc1cccnc1
InChIInChI=1S/C17H14BrN3O2/c1-11-15(17(22)20-10-12-3-2-8-19-9-12)16(23-21-11)13-4-6-14(18)7-5-13/h2-9H,10H2,1H3,(H,20,22)
InChIKeyXFMGCGDAXYYYDI-UHFFFAOYSA-N
XLogP3.74
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46093945
5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110677065
3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46093867
N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46096966
3-methyl-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 166330669
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
5-(4-tert-butylphenyl)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 46096938
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide
CID 46287897

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide (CID 110677073) is 5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccc(Br)cc2)c1C(=O)NCc1cccnc1.
What is the InChIKey of 5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is XFMGCGDAXYYYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-11-15(17(22)20-10-12-3-2-8-19-9-12)16(23-21-11)13-4-6-14(18)7-5-13/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of 5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 372.22 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110677073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).