4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

C24H18N4O2 — CID 139391367

IUPAC4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESc1ccc(-c2cc(COc3cccc4onc(Nc5cccnc5)c34)ccn2)cc1
InChIInChI=1S/C24H18N4O2/c1-2-6-18(7-3-1)20-14-17(11-13-26-20)16-29-21-9-4-10-22-23(21)24(28-30-22)27-19-8-5-12-25-15-19/h1-15H,16H2,(H,27,28)
InChIKeyHZEWJEIYYJGUJI-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.61
Rot. Bonds6

About 4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 139391367) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
PubChem CID139391367
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESc1ccc(-c2cc(COc3cccc4onc(Nc5cccnc5)c34)ccn2)cc1
InChIInChI=1S/C24H18N4O2/c1-2-6-18(7-3-1)20-14-17(11-13-26-20)16-29-21-9-4-10-22-23(21)24(28-30-22)27-19-8-5-12-25-15-19/h1-15H,16H2,(H,27,28)
InChIKeyHZEWJEIYYJGUJI-UHFFFAOYSA-N
XLogP5.61
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 139391367) is 4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is c1ccc(-c2cc(COc3cccc4onc(Nc5cccnc5)c34)ccn2)cc1.
What is the InChIKey of 4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The InChIKey is HZEWJEIYYJGUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-2-6-18(7-3-1)20-14-17(11-13-26-20)16-29-21-9-4-10-22-23(21)24(28-30-22)27-19-8-5-12-25-15-19/h1-15H,16H2,(H,27,28).
What are the key properties of 4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine has a molecular weight of 394.43 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 139391367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).