3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole

C20H23NO3 — CID 151315553

IUPAC3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole
SMILESCOCCOCc1ccc(-c2ccccc2C2=CC(C)ON2)cc1
InChIInChI=1S/C20H23NO3/c1-15-13-20(21-24-15)19-6-4-3-5-18(19)17-9-7-16(8-10-17)14-23-12-11-22-2/h3-10,13,15,21H,11-12,14H2,1-2H3
InChIKeyOFINVCCMFOYTMR-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.78
Rot. Bonds7

About 3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole

3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole (PubChem CID 151315553) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole
PubChem CID151315553
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole
SMILESCOCCOCc1ccc(-c2ccccc2C2=CC(C)ON2)cc1
InChIInChI=1S/C20H23NO3/c1-15-13-20(21-24-15)19-6-4-3-5-18(19)17-9-7-16(8-10-17)14-23-12-11-22-2/h3-10,13,15,21H,11-12,14H2,1-2H3
InChIKeyOFINVCCMFOYTMR-UHFFFAOYSA-N
XLogP3.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine
CID 57236429
1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine
CID 90825807
5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 91102428
3-Phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 123417533
1-phenyl-N-(1-phenylbutoxy)ethenamine
CID 134883649
1-(4-Hydroxyaminomethylphenyl)-3-phenyl-1-ethoxy-prop-2-yne
CID 19018212
N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine
CID 56631140
N-methoxy-1-phenyl-2-phenylmethoxyethenamine
CID 57125943
N-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine
CID 57255748
1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine
CID 57279981
N-methoxy-1-phenyl-2-phenylmethoxyprop-1-en-1-amine
CID 57318921
2-(2-(3-(Benzyloxy)propyl)phenyl)propan-2-amine
CID 66689040

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole (CID 151315553) is 3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole is COCCOCc1ccc(-c2ccccc2C2=CC(C)ON2)cc1.
What is the InChIKey of 3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole?
The InChIKey is OFINVCCMFOYTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-13-20(21-24-15)19-6-4-3-5-18(19)17-9-7-16(8-10-17)14-23-12-11-22-2/h3-10,13,15,21H,11-12,14H2,1-2H3.
What are the key properties of 3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole?
3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole has a molecular weight of 325.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 151315553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).