6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide

C17H11N5O3 — CID 131979407

IUPAC6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1c[nH]c(=O)cn1
InChIInChI=1S/C17H11N5O3/c23-15-9-19-13(8-20-15)16(24)21-11-3-4-14-12(6-11)22-17(25-14)10-2-1-5-18-7-10/h1-9H,(H,20,23)(H,21,24)
InChIKeyMZISHGCISANKBI-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.23
Rot. Bonds3

About 6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide

6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide (PubChem CID 131979407) has the molecular formula C17H11N5O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide
PubChem CID131979407
Molecular FormulaC17H11N5O3
Molecular Weight333.31 g/mol
Exact Mass333.09
IUPAC Name6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1c[nH]c(=O)cn1
InChIInChI=1S/C17H11N5O3/c23-15-9-19-13(8-20-15)16(24)21-11-3-4-14-12(6-11)22-17(25-14)10-2-1-5-18-7-10/h1-9H,(H,20,23)(H,21,24)
InChIKeyMZISHGCISANKBI-UHFFFAOYSA-N
XLogP2.23
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid
CID 175414286
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 1397151
2-methoxy-3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996116
4-chloro-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 2269824
5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 3810795
4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 1363694
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
CID 5063739
1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 130386733
N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 1114177
3-methyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 4909415

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide (CID 131979407) is 6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide is O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide?
The InChIKey is MZISHGCISANKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O3/c23-15-9-19-13(8-20-15)16(24)21-11-3-4-14-12(6-11)22-17(25-14)10-2-1-5-18-7-10/h1-9H,(H,20,23)(H,21,24).
What are the key properties of 6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide?
6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide has a molecular weight of 333.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 131979407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).