5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide

C16H14BrN5O2 — CID 109294407

IUPAC5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3ccc(Br)c(C)c3)cn2)no1
InChIInChI=1S/C16H14BrN5O2/c1-9-5-11(3-4-12(9)17)20-15-8-18-13(7-19-15)16(23)21-14-6-10(2)24-22-14/h3-8H,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyOZBHMUJKYALMAR-UHFFFAOYSA-N
MW388.23 g/mol
LogP3.84
Rot. Bonds4

About 5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide

5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide (PubChem CID 109294407) has the molecular formula C16H14BrN5O2 and a molecular weight of 388.23 g/mol. Its IUPAC name is 5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
PubChem CID109294407
Molecular FormulaC16H14BrN5O2
Molecular Weight388.23 g/mol
Exact Mass387.03
IUPAC Name5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3ccc(Br)c(C)c3)cn2)no1
InChIInChI=1S/C16H14BrN5O2/c1-9-5-11(3-4-12(9)17)20-15-8-18-13(7-19-15)16(23)21-14-6-10(2)24-22-14/h3-8H,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyOZBHMUJKYALMAR-UHFFFAOYSA-N
XLogP3.84
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109293973
5-(3,5-dichloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294607
5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294393
5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide
CID 109287309
5-(3,4-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198151
N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109293157
5-(4-bromo-3-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272503
5-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198217
5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283613
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294643
N-(5-methyl-1,2-oxazol-3-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198762

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide (CID 109294407) is 5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide is Cc1cc(NC(=O)c2cnc(Nc3ccc(Br)c(C)c3)cn2)no1.
What is the InChIKey of 5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is OZBHMUJKYALMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O2/c1-9-5-11(3-4-12(9)17)20-15-8-18-13(7-19-15)16(23)21-14-6-10(2)24-22-14/h3-8H,1-2H3,(H,19,20)(H,21,22,23).
What are the key properties of 5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 388.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109294407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).