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

C9H7ClN4O2 — CID 107371739

IUPAC5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Cl)cn2)on1
InChIInChI=1S/C9H7ClN4O2/c1-5-2-8(16-14-5)13-9(15)6-3-12-7(10)4-11-6/h2-4H,1H3,(H,13,15)
InChIKeyLXTRAJJKYYVOOP-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.68
Rot. Bonds2

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

5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide (PubChem CID 107371739) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide
PubChem CID107371739
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Cl)cn2)on1
InChIInChI=1S/C9H7ClN4O2/c1-5-2-8(16-14-5)13-9(15)6-3-12-7(10)4-11-6/h2-4H,1H3,(H,13,15)
InChIKeyLXTRAJJKYYVOOP-UHFFFAOYSA-N
XLogP1.68
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide (CID 107371739) is 5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide is Cc1cc(NC(=O)c2cnc(Cl)cn2)on1.
What is the InChIKey of 5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide?
The InChIKey is LXTRAJJKYYVOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c1-5-2-8(16-14-5)13-9(15)6-3-12-7(10)4-11-6/h2-4H,1H3,(H,13,15).
What are the key properties of 5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide?
5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide has a molecular weight of 238.63 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107371739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).