5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine

C26H23N5O2 — CID 72725451

IUPAC5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine
SMILESCN(C)COc1cccc(-c2cnc(N)c(-c3nc4cccc(-c5ccccn5)c4o3)c2)c1
InChIInChI=1S/C26H23N5O2/c1-31(2)16-32-19-8-5-7-17(13-19)18-14-21(25(27)29-15-18)26-30-23-11-6-9-20(24(23)33-26)22-10-3-4-12-28-22/h3-15H,16H2,1-2H3,(H2,27,29)
InChIKeyYCXFPGDYWCWXNN-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.10
Rot. Bonds6

About 5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine

5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine (PubChem CID 72725451) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine
PubChem CID72725451
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine
SMILESCN(C)COc1cccc(-c2cnc(N)c(-c3nc4cccc(-c5ccccn5)c4o3)c2)c1
InChIInChI=1S/C26H23N5O2/c1-31(2)16-32-19-8-5-7-17(13-19)18-14-21(25(27)29-15-18)26-30-23-11-6-9-20(24(23)33-26)22-10-3-4-12-28-22/h3-15H,16H2,1-2H3,(H2,27,29)
InChIKeyYCXFPGDYWCWXNN-UHFFFAOYSA-N
XLogP5.10
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine (CID 72725451) is 5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine is CN(C)COc1cccc(-c2cnc(N)c(-c3nc4cccc(-c5ccccn5)c4o3)c2)c1.
What is the InChIKey of 5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine?
The InChIKey is YCXFPGDYWCWXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-31(2)16-32-19-8-5-7-17(13-19)18-14-21(25(27)29-15-18)26-30-23-11-6-9-20(24(23)33-26)22-10-3-4-12-28-22/h3-15H,16H2,1-2H3,(H2,27,29).
What are the key properties of 5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine?
5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine has a molecular weight of 437.50 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(dimethylamino)methoxy]phenyl]-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 72725451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).