2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol

C23H22N2O2 — CID 129137991

IUPAC2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)ccc2o1
InChIInChI=1S/C23H22N2O2/c1-16-19(18-6-3-2-4-7-18)8-5-9-20(16)23-25-21-14-17(15-24-12-13-26)10-11-22(21)27-23/h2-11,14,24,26H,12-13,15H2,1H3
InChIKeyZNOWLLPAHTWELC-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.55
Rot. Bonds6

About 2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol

2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol (PubChem CID 129137991) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol
PubChem CID129137991
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)ccc2o1
InChIInChI=1S/C23H22N2O2/c1-16-19(18-6-3-2-4-7-18)8-5-9-20(16)23-25-21-14-17(15-24-12-13-26)10-11-22(21)27-23/h2-11,14,24,26H,12-13,15H2,1H3
InChIKeyZNOWLLPAHTWELC-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'}

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Related Compounds

Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Flunoxaprofen
CID 68869
BI 99179
CID 51346964
2-(2'-Methylphenyl)benzoxazole
CID 154899
3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698
3-(5,7-Dimethyl-1,3-benzoxazol-2-yl)aniline
CID 721040
Benzoxazole, 5-methyl-2-(4-methylphenyl)-
CID 85307
US11572366, Example 11
CID 129138000
2-(1-Naphthyl)-1,3-benzoxazol-5-amine
CID 650480
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
H-Dmt-Tic-NH-CH2-Boa
CID 44451689
3-((7-Methyl-Benzoxazol-2-ylmethyl)amino)-5-ethyl-6-methlpyridin-2(1H)-one
CID 453443

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol?
The IUPAC name of 2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol (CID 129137991) is 2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol?
The canonical SMILES for 2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol is Cc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)ccc2o1.
What is the InChIKey of 2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol?
The InChIKey is ZNOWLLPAHTWELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16-19(18-6-3-2-4-7-18)8-5-9-20(16)23-25-21-14-17(15-24-12-13-26)10-11-22(21)27-23/h2-11,14,24,26H,12-13,15H2,1H3.
What are the key properties of 2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol?
2-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]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-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol is sourced from PubChem (CID 129137991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).