2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol

C24H24N2O2 — CID 129137940

IUPAC2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)cc(C)c2o1
InChIInChI=1S/C24H24N2O2/c1-16-13-18(15-25-11-12-27)14-22-23(16)28-24(26-22)21-10-6-9-20(17(21)2)19-7-4-3-5-8-19/h3-10,13-14,25,27H,11-12,15H2,1-2H3
InChIKeySSMMLRVAQHQCMT-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.86
Rot. Bonds6

About 2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol

2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol (PubChem CID 129137940) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol
PubChem CID129137940
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)cc(C)c2o1
InChIInChI=1S/C24H24N2O2/c1-16-13-18(15-25-11-12-27)14-22-23(16)28-24(26-22)21-10-6-9-20(17(21)2)19-7-4-3-5-8-19/h3-10,13-14,25,27H,11-12,15H2,1-2H3
InChIKeySSMMLRVAQHQCMT-UHFFFAOYSA-N
XLogP4.86
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol with MolForge

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Related Compounds

Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Flunoxaprofen
CID 68869
L 697639
CID 60832
3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698
3-(5,7-Dimethyl-1,3-benzoxazol-2-yl)aniline
CID 721040
US11572366, Example 11
CID 129138000
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
3-(2-(4,7-Dimethylbenzoxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453444
3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one
CID 454420
N-(3-Benzooxazol-7-yl-propyl)-acetamide
CID 22718532

Frequently Asked Questions

What is the IUPAC name of 2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol?
The IUPAC name of 2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol (CID 129137940) is 2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol?
The canonical SMILES for 2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol is Cc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)cc(C)c2o1.
What is the InChIKey of 2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol?
The InChIKey is SSMMLRVAQHQCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-16-13-18(15-25-11-12-27)14-22-23(16)28-24(26-22)21-10-6-9-20(17(21)2)19-7-4-3-5-8-19/h3-10,13-14,25,27H,11-12,15H2,1-2H3.
What are the key properties of 2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol?
2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol has a molecular weight of 372.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol is sourced from PubChem (CID 129137940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).