5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one

C18H14N4O4 — CID 177055873

IUPAC5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one
SMILESCn1cc(-c2nc3cc(OCc4ccc(O)cn4)ccc3o2)ncc1=O
InChIInChI=1S/C18H14N4O4/c1-22-9-15(20-8-17(22)24)18-21-14-6-13(4-5-16(14)26-18)25-10-11-2-3-12(23)7-19-11/h2-9,23H,10H2,1H3
InChIKeyTYVMOZTXDMDJQM-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.27
Rot. Bonds4

About 5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one

5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one (PubChem CID 177055873) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one
PubChem CID177055873
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one
SMILESCn1cc(-c2nc3cc(OCc4ccc(O)cn4)ccc3o2)ncc1=O
InChIInChI=1S/C18H14N4O4/c1-22-9-15(20-8-17(22)24)18-21-14-6-13(4-5-16(14)26-18)25-10-11-2-3-12(23)7-19-11/h2-9,23H,10H2,1H3
InChIKeyTYVMOZTXDMDJQM-UHFFFAOYSA-N
XLogP2.27
TPSA103.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one?
The IUPAC name of 5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one (CID 177055873) is 5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one is Cn1cc(-c2nc3cc(OCc4ccc(O)cn4)ccc3o2)ncc1=O.
What is the InChIKey of 5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one?
The InChIKey is TYVMOZTXDMDJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c1-22-9-15(20-8-17(22)24)18-21-14-6-13(4-5-16(14)26-18)25-10-11-2-3-12(23)7-19-11/h2-9,23H,10H2,1H3.
What are the key properties of 5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one?
5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one has a molecular weight of 350.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 177055873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).