5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide

C14H11ClN4O2 — CID 103803702

IUPAC5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
SMILESCCc1nc2cc(NC(=O)c3cnc(Cl)cn3)ccc2o1
InChIInChI=1S/C14H11ClN4O2/c1-2-13-19-9-5-8(3-4-11(9)21-13)18-14(20)10-6-17-12(15)7-16-10/h3-7H,2H2,1H3,(H,18,20)
InChIKeyDUDCMCXDBXUXEK-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.09
Rot. Bonds3

About 5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide

5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide (PubChem CID 103803702) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
PubChem CID103803702
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
SMILESCCc1nc2cc(NC(=O)c3cnc(Cl)cn3)ccc2o1
InChIInChI=1S/C14H11ClN4O2/c1-2-13-19-9-5-8(3-4-11(9)21-13)18-14(20)10-6-17-12(15)7-16-10/h3-7H,2H2,1H3,(H,18,20)
InChIKeyDUDCMCXDBXUXEK-UHFFFAOYSA-N
XLogP3.09
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 75526044
N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 60933557
2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
CID 52717820
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide
CID 63102295
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide
CID 60556890
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
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7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide (CID 103803702) is 5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide is CCc1nc2cc(NC(=O)c3cnc(Cl)cn3)ccc2o1.
What is the InChIKey of 5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide?
The InChIKey is DUDCMCXDBXUXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-2-13-19-9-5-8(3-4-11(9)21-13)18-14(20)10-6-17-12(15)7-16-10/h3-7H,2H2,1H3,(H,18,20).
What are the key properties of 5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide?
5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide has a molecular weight of 302.72 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 103803702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).