2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol

C29H33N3O4 — CID 129137926

IUPAC2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)c(OCCN3CCOCC3)cc2o1
InChIInChI=1S/C29H33N3O4/c1-21-24(22-6-3-2-4-7-22)8-5-9-25(21)29-31-26-18-23(20-30-10-14-33)27(19-28(26)36-29)35-17-13-32-11-15-34-16-12-32/h2-9,18-19,30,33H,10-17,20H2,1H3
InChIKeyVSLGIPZHVMRWRE-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.26
Rot. Bonds10

About 2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol

2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol (PubChem CID 129137926) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is 2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol
PubChem CID129137926
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)c(OCCN3CCOCC3)cc2o1
InChIInChI=1S/C29H33N3O4/c1-21-24(22-6-3-2-4-7-22)8-5-9-25(21)29-31-26-18-23(20-30-10-14-33)27(19-28(26)36-29)35-17-13-32-11-15-34-16-12-32/h2-9,18-19,30,33H,10-17,20H2,1H3
InChIKeyVSLGIPZHVMRWRE-UHFFFAOYSA-N
XLogP4.26
TPSA79.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-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
US11572366, Example 11
CID 129138000
2-(6-Hydroxynaphthalen-1-yl)benzo(d)oxazol-6-ol
CID 10062042
Nocarbenzoxazole G
CID 137133304
2-(4-Hydroxy-naphthalen-1-yl)-benzooxazol-6-ol
CID 135503567
4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline
CID 25211866
4-[(E)-2-[4-[6-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline
CID 25211868
6-(3-(Pyrrolidin-1-yl)propoxy)-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)benzo[d]oxazole
CID 45102599
N'-[3-[4-[6-[3-[2-(dimethylamino)ethyl-methylamino]propoxy]-1,3-benzoxazol-2-yl]phenoxy]propyl]-N,N,N'-trimethylethane-1,2-diamine
CID 45137750
6-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]-2-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-1,3-benzoxazole
CID 45137751
6-(3-Piperidin-1-ylpropoxy)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-benzoxazole
CID 45137909
N'-[3-[4-[6-[3-(dimethylamino)propoxy]-1,3-benzoxazol-2-yl]phenoxy]propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 45137910

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol?
The IUPAC name of 2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol (CID 129137926) is 2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol?
The canonical SMILES for 2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol is Cc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)c(OCCN3CCOCC3)cc2o1.
What is the InChIKey of 2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol?
The InChIKey is VSLGIPZHVMRWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-21-24(22-6-3-2-4-7-22)8-5-9-25(21)29-31-26-18-23(20-30-10-14-33)27(19-28(26)36-29)35-17-13-32-11-15-34-16-12-32/h2-9,18-19,30,33H,10-17,20H2,1H3.
What are the key properties of 2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol?
2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol has a molecular weight of 487.60 g/mol, XLogP of 4.26, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methyl-3-phenylphenyl)-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]methylamino]ethanol is sourced from PubChem (CID 129137926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).