4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole

C17H15NO3 — CID 21408543

IUPAC4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole
SMILESCOc1ccc(-c2ncoc2-c2ccccc2)cc1OC
InChIInChI=1S/C17H15NO3/c1-19-14-9-8-13(10-15(14)20-2)16-17(21-11-18-16)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyCIYHFYHQEOGHKW-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.03
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole

4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole (PubChem CID 21408543) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole
PubChem CID21408543
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole
SMILESCOc1ccc(-c2ncoc2-c2ccccc2)cc1OC
InChIInChI=1S/C17H15NO3/c1-19-14-9-8-13(10-15(14)20-2)16-17(21-11-18-16)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyCIYHFYHQEOGHKW-UHFFFAOYSA-N
XLogP4.03
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethoxyphenyl)-4-phenyl-1,3-oxazole;2-sulfanylpropanoic acid
CID 21409057
4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline
CID 118373092
5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
CID 141261437
4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole
CID 71766618
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 141261474
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
CID 11418585
4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole
CID 70800600
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide
CID 6489736
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole
CID 141261435
4-(3-bromo-5-methoxy-4-methylsulfanylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole
CID 71766036
6-(3,4-dimethoxyphenyl)-4-phenylquinazoline
CID 25054917

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole (CID 21408543) is 4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole is COc1ccc(-c2ncoc2-c2ccccc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole?
The InChIKey is CIYHFYHQEOGHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-19-14-9-8-13(10-15(14)20-2)16-17(21-11-18-16)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole?
4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole has a molecular weight of 281.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole is sourced from PubChem (CID 21408543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).