N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine

C19H13N3O — CID 102500858

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine
SMILESC(=N/c1ccc(-c2nc3ccccc3o2)cc1)\c1ccccn1
InChIInChI=1S/C19H13N3O/c1-2-7-18-17(6-1)22-19(23-18)14-8-10-15(11-9-14)21-13-16-5-3-4-12-20-16/h1-13H/b21-13+
InChIKeyHJUGDVMRMLIQAE-FYJGNVAPSA-N
MW299.33 g/mol
LogP4.64
Rot. Bonds3

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

N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine (PubChem CID 102500858) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine
PubChem CID102500858
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine
SMILESC(=N/c1ccc(-c2nc3ccccc3o2)cc1)\c1ccccn1
InChIInChI=1S/C19H13N3O/c1-2-7-18-17(6-1)22-19(23-18)14-8-10-15(11-9-14)21-13-16-5-3-4-12-20-16/h1-13H/b21-13+
InChIKeyHJUGDVMRMLIQAE-FYJGNVAPSA-N
XLogP4.64
TPSA51.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine (CID 102500858) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine is C(=N/c1ccc(-c2nc3ccccc3o2)cc1)\c1ccccn1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine?
The InChIKey is HJUGDVMRMLIQAE-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H13N3O/c1-2-7-18-17(6-1)22-19(23-18)14-8-10-15(11-9-14)21-13-16-5-3-4-12-20-16/h1-13H/b21-13+.
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine has a molecular weight of 299.33 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 102500858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).