2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole

C18H17NO4 — CID 164611417

IUPAC2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(-c2cnc(-c3cccc(OC)c3OC)o2)c1
InChIInChI=1S/C18H17NO4/c1-20-13-7-4-6-12(10-13)16-11-19-18(23-16)14-8-5-9-15(21-2)17(14)22-3/h4-11H,1-3H3
InChIKeyRHRDBOQLSJDTNS-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.03
Rot. Bonds5

About 2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole

2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole (PubChem CID 164611417) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole
PubChem CID164611417
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(-c2cnc(-c3cccc(OC)c3OC)o2)c1
InChIInChI=1S/C18H17NO4/c1-20-13-7-4-6-12(10-13)16-11-19-18(23-16)14-8-5-9-15(21-2)17(14)22-3/h4-11H,1-3H3
InChIKeyRHRDBOQLSJDTNS-UHFFFAOYSA-N
XLogP4.03
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole (CID 164611417) is 2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole is COc1cccc(-c2cnc(-c3cccc(OC)c3OC)o2)c1.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole?
The InChIKey is RHRDBOQLSJDTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-20-13-7-4-6-12(10-13)16-11-19-18(23-16)14-8-5-9-15(21-2)17(14)22-3/h4-11H,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole?
2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole has a molecular weight of 311.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 164611417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).