N-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide

C16H12BrN3O2 — CID 119042897

IUPACN-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2cc(-c3ccccc3)on2)c(Br)c1
InChIInChI=1S/C16H12BrN3O2/c1-10-7-12(17)15(18-9-10)19-16(21)13-8-14(22-20-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19,21)
InChIKeyMIUNUMOHJGKBSM-UHFFFAOYSA-N
MW358.20 g/mol
LogP4.06
Rot. Bonds3

About N-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 119042897) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is N-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID119042897
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC NameN-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2cc(-c3ccccc3)on2)c(Br)c1
InChIInChI=1S/C16H12BrN3O2/c1-10-7-12(17)15(18-9-10)19-16(21)13-8-14(22-20-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19,21)
InChIKeyMIUNUMOHJGKBSM-UHFFFAOYSA-N
XLogP4.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 19581183
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
N-(2-methyl-6-propan-2-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261863
N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide
CID 154876265
N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 78928016
N-(3,5-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285765
N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986112
N-(3-hydroxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093722
N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17022037
dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 55445915
(2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide
CID 97326609

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 119042897) is N-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide is Cc1cnc(NC(=O)c2cc(-c3ccccc3)on2)c(Br)c1.
What is the InChIKey of N-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is MIUNUMOHJGKBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c1-10-7-12(17)15(18-9-10)19-16(21)13-8-14(22-20-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19,21).
What are the key properties of N-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 358.20 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119042897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).