2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol

C24H24N2O3 — CID 129137996

IUPAC2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol
SMILESCOc1cc2oc(-c3cccc(-c4ccccc4)c3C)nc2cc1CNCCO
InChIInChI=1S/C24H24N2O3/c1-16-19(17-7-4-3-5-8-17)9-6-10-20(16)24-26-21-13-18(15-25-11-12-27)22(28-2)14-23(21)29-24/h3-10,13-14,25,27H,11-12,15H2,1-2H3
InChIKeyVHHDHDGZDVIVEH-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.56
Rot. Bonds7

About 2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol

2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol (PubChem CID 129137996) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol
PubChem CID129137996
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol
SMILESCOc1cc2oc(-c3cccc(-c4ccccc4)c3C)nc2cc1CNCCO
InChIInChI=1S/C24H24N2O3/c1-16-19(17-7-4-3-5-8-17)9-6-10-20(16)24-26-21-13-18(15-25-11-12-27)22(28-2)14-23(21)29-24/h3-10,13-14,25,27H,11-12,15H2,1-2H3
InChIKeyVHHDHDGZDVIVEH-UHFFFAOYSA-N
XLogP4.56
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol with MolForge

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Related Compounds

2-(5-Hydroxy-naphthalen-1-YL)-1,3-benzooxazol-6-OL
CID 4369550
2-(4-Hydroxyphenyl)benzo[d]oxazol-6-ol
CID 135471161
US11572366, Example 11
CID 129138000
2-(6-Hydroxynaphthalen-1-yl)benzo(d)oxazol-6-ol
CID 10062042
2-(6-Hydroxynaphthalen-2-yl)benzo[d]oxazol-6-ol
CID 135449109
4-(6-Hydroxy-benzooxazol-2-yl)-benzene-1,3-diol
CID 135522275
N-{3-[2-(4-Phenyl-butyl)-benzooxazol-7-yl]-propyl}-propionamide
CID 10361427
Nocarbenzoxazole G
CID 137133304
2-Naphthalen-1-yl-benzooxazol-6-ol
CID 10244394
2-(4-Hydroxy-naphthalen-1-yl)-benzooxazol-6-ol
CID 135503567
(2S)-2-[[(2S)-2-(1,3-benzoxazol-2-yl)oxolane-2-carbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid
CID 10052250
4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]aniline
CID 25211658

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol?
The IUPAC name of 2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol (CID 129137996) is 2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol?
The canonical SMILES for 2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol is COc1cc2oc(-c3cccc(-c4ccccc4)c3C)nc2cc1CNCCO.
What is the InChIKey of 2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol?
The InChIKey is VHHDHDGZDVIVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16-19(17-7-4-3-5-8-17)9-6-10-20(16)24-26-21-13-18(15-25-11-12-27)22(28-2)14-23(21)29-24/h3-10,13-14,25,27H,11-12,15H2,1-2H3.
What are the key properties of 2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol?
2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol has a molecular weight of 388.47 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methoxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol is sourced from PubChem (CID 129137996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).