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

C18H19NO3 — CID 90947064

IUPAC3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=CC(Cc3ccccc3OC)ON2)cc1
InChIInChI=1S/C18H19NO3/c1-20-15-9-7-13(8-10-15)17-12-16(22-19-17)11-14-5-3-4-6-18(14)21-2/h3-10,12,16,19H,11H2,1-2H3
InChIKeyXHFDWMKETJWKSZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.19
Rot. Bonds5

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

3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole (PubChem CID 90947064) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole
PubChem CID90947064
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=CC(Cc3ccccc3OC)ON2)cc1
InChIInChI=1S/C18H19NO3/c1-20-15-9-7-13(8-10-15)17-12-16(22-19-17)11-14-5-3-4-6-18(14)21-2/h3-10,12,16,19H,11H2,1-2H3
InChIKeyXHFDWMKETJWKSZ-UHFFFAOYSA-N
XLogP3.19
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole
CID 91026761
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5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole (CID 90947064) is 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole is COc1ccc(C2=CC(Cc3ccccc3OC)ON2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is XHFDWMKETJWKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-20-15-9-7-13(8-10-15)17-12-16(22-19-17)11-14-5-3-4-6-18(14)21-2/h3-10,12,16,19H,11H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole?
3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 297.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90947064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).