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

C18H17NO4 — CID 56943533

IUPAC5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncoc2-c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C18H17NO4/c1-20-14-6-4-12(5-7-14)17-18(23-11-19-17)13-8-15(21-2)10-16(9-13)22-3/h4-11H,1-3H3
InChIKeyNSBHWHIXYXSRKM-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.03
Rot. Bonds5

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

5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 56943533) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
PubChem CID56943533
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncoc2-c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C18H17NO4/c1-20-14-6-4-12(5-7-14)17-18(23-11-19-17)13-8-15(21-2)10-16(9-13)22-3/h4-11H,1-3H3
InChIKeyNSBHWHIXYXSRKM-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 5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole (CID 56943533) is 5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2ncoc2-c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is NSBHWHIXYXSRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-20-14-6-4-12(5-7-14)17-18(23-11-19-17)13-8-15(21-2)10-16(9-13)22-3/h4-11H,1-3H3.
What are the key properties of 5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole?
5-(3,5-dimethoxyphenyl)-4-(4-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 5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56943533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).