N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide

C12H7BrN4O2 — CID 112525478

IUPACN-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide
SMILESO=C(Nc1ccc2ocnc2c1)c1cnc(Br)cn1
InChIInChI=1S/C12H7BrN4O2/c13-11-5-14-9(4-15-11)12(18)17-7-1-2-10-8(3-7)16-6-19-10/h1-6H,(H,17,18)
InChIKeyKXZXMFDNUKFMCZ-UHFFFAOYSA-N
MW319.12 g/mol
LogP2.63
Rot. Bonds2

About N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide

N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide (PubChem CID 112525478) has the molecular formula C12H7BrN4O2 and a molecular weight of 319.12 g/mol. Its IUPAC name is N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide
PubChem CID112525478
Molecular FormulaC12H7BrN4O2
Molecular Weight319.12 g/mol
Exact Mass317.98
IUPAC NameN-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide
SMILESO=C(Nc1ccc2ocnc2c1)c1cnc(Br)cn1
InChIInChI=1S/C12H7BrN4O2/c13-11-5-14-9(4-15-11)12(18)17-7-1-2-10-8(3-7)16-6-19-10/h1-6H,(H,17,18)
InChIKeyKXZXMFDNUKFMCZ-UHFFFAOYSA-N
XLogP2.63
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.12
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
CID 110728684
N-(1,3-benzoxazol-5-yl)-2-methylbenzamide
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CID 110744615
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388195
N-(1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 110728668
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CID 110388187
N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 110388239
5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
CID 103803702
1-(1,3-benzoxazol-5-yl)-3-benzylurea
CID 110748624
N-(1,3-benzoxazol-6-yl)-5-chloro-2-hydroxybenzamide
CID 175430925
1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide (CID 112525478) is N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide is O=C(Nc1ccc2ocnc2c1)c1cnc(Br)cn1.
What is the InChIKey of N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide?
The InChIKey is KXZXMFDNUKFMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN4O2/c13-11-5-14-9(4-15-11)12(18)17-7-1-2-10-8(3-7)16-6-19-10/h1-6H,(H,17,18).
What are the key properties of N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide?
N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide has a molecular weight of 319.12 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide is sourced from PubChem (CID 112525478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).