2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol

C23H22N2O2 — CID 177379626

IUPAC2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)ccc2nc(-c3cccc(CNCCO)c3)oc12
InChIInChI=1S/C23H22N2O2/c1-16-20(18-7-3-2-4-8-18)10-11-21-22(16)27-23(25-21)19-9-5-6-17(14-19)15-24-12-13-26/h2-11,14,24,26H,12-13,15H2,1H3
InChIKeyPKPHQCBSFICVLB-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.55
Rot. Bonds6

About 2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol

2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol (PubChem CID 177379626) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol
PubChem CID177379626
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)ccc2nc(-c3cccc(CNCCO)c3)oc12
InChIInChI=1S/C23H22N2O2/c1-16-20(18-7-3-2-4-8-18)10-11-21-22(16)27-23(25-21)19-9-5-6-17(14-19)15-24-12-13-26/h2-11,14,24,26H,12-13,15H2,1H3
InChIKeyPKPHQCBSFICVLB-UHFFFAOYSA-N
XLogP4.55
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[[3-[6-[3-[3-(4-aminopiperidin-1-yl)propoxy]-2-methylphenyl]-1,3-benzoxazol-2-yl]phenyl]methylamino]ethanol
CID 177379652
(3S)-1-[3-[3-[2-[3-[(2-hydroxyethylamino)methyl]phenyl]-1,3-benzoxazol-6-yl]-2-methylphenoxy]propyl]pyrrolidine-3-carboxylic acid
CID 177379649
(2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol
CID 175433758
N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine
CID 82357516
2-[[3-[3-[3-[2-[5-[(2-hydroxyethylamino)methyl]-2-(trifluoromethyl)phenyl]ethyl]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]ethanol
CID 166890861
2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol
CID 129137930
methyl 2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazole-7-carboxylate
CID 66621015
2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol
CID 135146919
2-[[2-[5-[3-[6-[(2-hydroxyethylamino)methyl]-1,3-benzoxazol-2-yl]phenyl]-6,6-dimethylcyclohexa-2,4-dien-1-yl]-1,3-benzoxazol-6-yl]methylamino]ethanol
CID 175193523
2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol
CID 146342465
5-methyl-2-(2-phenyl-1,3-benzoxazol-7-yl)benzaldehyde
CID 145303189
N-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357533

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol?
The IUPAC name of 2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol (CID 177379626) is 2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol is Cc1c(-c2ccccc2)ccc2nc(-c3cccc(CNCCO)c3)oc12.
What is the InChIKey of 2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol?
The InChIKey is PKPHQCBSFICVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16-20(18-7-3-2-4-8-18)10-11-21-22(16)27-23(25-21)19-9-5-6-17(14-19)15-24-12-13-26/h2-11,14,24,26H,12-13,15H2,1H3.
What are the key properties of 2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol?
2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol has a molecular weight of 358.44 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol is sourced from PubChem (CID 177379626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).