2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol

C19H19NO4 — CID 18998922

IUPAC2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol
SMILESCOc1ccc(-c2noc(CCO)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-22-15-7-3-13(4-8-15)18-17(11-12-21)24-20-19(18)14-5-9-16(23-2)10-6-14/h3-10,21H,11-12H2,1-2H3
InChIKeyIHJUPVGPRVDYAQ-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.56
Rot. Bonds6

About 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol

2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol (PubChem CID 18998922) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol
PubChem CID18998922
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol
SMILESCOc1ccc(-c2noc(CCO)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-22-15-7-3-13(4-8-15)18-17(11-12-21)24-20-19(18)14-5-9-16(23-2)10-6-14/h3-10,21H,11-12H2,1-2H3
InChIKeyIHJUPVGPRVDYAQ-UHFFFAOYSA-N
XLogP3.56
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol (CID 18998922) is 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol is COc1ccc(-c2noc(CCO)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol?
The InChIKey is IHJUPVGPRVDYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-22-15-7-3-13(4-8-15)18-17(11-12-21)24-20-19(18)14-5-9-16(23-2)10-6-14/h3-10,21H,11-12H2,1-2H3.
What are the key properties of 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol?
2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol has a molecular weight of 325.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 18998922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).