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

C18H19NO3 — CID 132564223

IUPAC2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(CC2CN=C(c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C18H19NO3/c1-20-15-7-3-13(4-8-15)11-17-12-19-18(22-17)14-5-9-16(21-2)10-6-14/h3-10,17H,11-12H2,1-2H3
InChIKeyLKTAJDLQSVVBHZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.09
Rot. Bonds5

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

2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 132564223) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
PubChem CID132564223
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(CC2CN=C(c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C18H19NO3/c1-20-15-7-3-13(4-8-15)11-17-12-19-18(22-17)14-5-9-16(21-2)10-6-14/h3-10,17H,11-12H2,1-2H3
InChIKeyLKTAJDLQSVVBHZ-UHFFFAOYSA-N
XLogP3.09
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 138964471
5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061338
(5R)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562212
(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one
CID 129394807
(5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562323
(5R)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71562094
5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 57413607
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 141158954
(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane
CID 11425650
2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 102057404
5-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid
CID 115061684

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole (CID 132564223) is 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole is COc1ccc(CC2CN=C(c3ccc(OC)cc3)O2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is LKTAJDLQSVVBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-20-15-7-3-13(4-8-15)11-17-12-19-18(22-17)14-5-9-16(21-2)10-6-14/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole?
2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 297.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132564223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).