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

C19H19NO4 — CID 70885356

IUPAC1-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]ethanol
SMILESCOc1ccc(-c2nc(C(C)O)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-12(21)19-20-17(13-4-8-15(22-2)9-5-13)18(24-19)14-6-10-16(23-3)11-7-14/h4-12,21H,1-3H3
InChIKeyATVSDQGCICWLOU-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.08
Rot. Bonds5

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

1-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]ethanol (PubChem CID 70885356) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]ethanol
PubChem CID70885356
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]ethanol
SMILESCOc1ccc(-c2nc(C(C)O)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-12(21)19-20-17(13-4-8-15(22-2)9-5-13)18(24-19)14-6-10-16(23-3)11-7-14/h4-12,21H,1-3H3
InChIKeyATVSDQGCICWLOU-UHFFFAOYSA-N
XLogP4.08
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]ethanol?
The IUPAC name of 1-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]ethanol (CID 70885356) is 1-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]ethanol.
What is the SMILES notation for 1-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]ethanol?
The canonical SMILES for 1-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]ethanol is COc1ccc(-c2nc(C(C)O)oc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]ethanol?
The InChIKey is ATVSDQGCICWLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12(21)19-20-17(13-4-8-15(22-2)9-5-13)18(24-19)14-6-10-16(23-3)11-7-14/h4-12,21H,1-3H3.
What are the key properties of 1-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]ethanol?
1-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]ethanol has a molecular weight of 325.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]ethanol is sourced from PubChem (CID 70885356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).