2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C18H14N6O3 — CID 122192858

IUPAC2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESNc1noc2ccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)cc12
InChIInChI=1S/C18H14N6O3/c19-18-13-7-12(2-3-15(13)27-24-18)26-10-17(25)23-16-4-1-11(8-22-16)14-9-20-5-6-21-14/h1-9H,10H2,(H2,19,24)(H,22,23,25)
InChIKeyITPVXDDJHXLJMW-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.28
Rot. Bonds5

About 2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 122192858) has the molecular formula C18H14N6O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID122192858
Molecular FormulaC18H14N6O3
Molecular Weight362.35 g/mol
Exact Mass362.11
IUPAC Name2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESNc1noc2ccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)cc12
InChIInChI=1S/C18H14N6O3/c19-18-13-7-12(2-3-15(13)27-24-18)26-10-17(25)23-16-4-1-11(8-22-16)14-9-20-5-6-21-14/h1-9H,10H2,(H2,19,24)(H,22,23,25)
InChIKeyITPVXDDJHXLJMW-UHFFFAOYSA-N
XLogP2.28
TPSA129.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 122192858) is 2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Nc1noc2ccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)cc12.
What is the InChIKey of 2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is ITPVXDDJHXLJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3/c19-18-13-7-12(2-3-15(13)27-24-18)26-10-17(25)23-16-4-1-11(8-22-16)14-9-20-5-6-21-14/h1-9H,10H2,(H2,19,24)(H,22,23,25).
What are the key properties of 2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 362.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,2-benzoxazol-5-yl)oxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 122192858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).