2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol

C19H15N3O2 — CID 629034

IUPAC2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol
SMILESOc1cc(NCc2cccnc2)ccc1-c1nc2ccccc2o1
InChIInChI=1S/C19H15N3O2/c23-17-10-14(21-12-13-4-3-9-20-11-13)7-8-15(17)19-22-16-5-1-2-6-18(16)24-19/h1-11,21,23H,12H2
InChIKeyXULDIJYOGKVNID-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.21
Rot. Bonds4

About 2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol

2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol (PubChem CID 629034) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol
PubChem CID629034
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol
SMILESOc1cc(NCc2cccnc2)ccc1-c1nc2ccccc2o1
InChIInChI=1S/C19H15N3O2/c23-17-10-14(21-12-13-4-3-9-20-11-13)7-8-15(17)19-22-16-5-1-2-6-18(16)24-19/h1-11,21,23H,12H2
InChIKeyXULDIJYOGKVNID-UHFFFAOYSA-N
XLogP4.21
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol (CID 629034) is 2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol is Oc1cc(NCc2cccnc2)ccc1-c1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol?
The InChIKey is XULDIJYOGKVNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-17-10-14(21-12-13-4-3-9-20-11-13)7-8-15(17)19-22-16-5-1-2-6-18(16)24-19/h1-11,21,23H,12H2.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol?
2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol has a molecular weight of 317.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-5-(pyridin-3-ylmethylamino)phenol is sourced from PubChem (CID 629034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).