5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide

C15H12BrN5O2 — CID 109294393

IUPAC5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3ccccc3Br)cn2)no1
InChIInChI=1S/C15H12BrN5O2/c1-9-6-13(21-23-9)20-15(22)12-7-18-14(8-17-12)19-11-5-3-2-4-10(11)16/h2-8H,1H3,(H,18,19)(H,20,21,22)
InChIKeyHAHSRDVLLDDTMM-UHFFFAOYSA-N
MW374.20 g/mol
LogP3.53
Rot. Bonds4

About 5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide

5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide (PubChem CID 109294393) has the molecular formula C15H12BrN5O2 and a molecular weight of 374.20 g/mol. Its IUPAC name is 5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
PubChem CID109294393
Molecular FormulaC15H12BrN5O2
Molecular Weight374.20 g/mol
Exact Mass373.02
IUPAC Name5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3ccccc3Br)cn2)no1
InChIInChI=1S/C15H12BrN5O2/c1-9-6-13(21-23-9)20-15(22)12-7-18-14(8-17-12)19-11-5-3-2-4-10(11)16/h2-8H,1H3,(H,18,19)(H,20,21,22)
InChIKeyHAHSRDVLLDDTMM-UHFFFAOYSA-N
XLogP3.53
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109293991
5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697
5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294407
5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290079
5-(3,5-dichloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294607
5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271317
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 109294525
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294643
N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289795
5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109294334
5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294390
N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270417

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide (CID 109294393) is 5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide is Cc1cc(NC(=O)c2cnc(Nc3ccccc3Br)cn2)no1.
What is the InChIKey of 5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is HAHSRDVLLDDTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O2/c1-9-6-13(21-23-9)20-15(22)12-7-18-14(8-17-12)19-11-5-3-2-4-10(11)16/h2-8H,1H3,(H,18,19)(H,20,21,22).
What are the key properties of 5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 374.20 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109294393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).