5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole

C19H18ClNO5 — CID 58178294

IUPAC5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2cnoc2-c2ccc(Cl)cc2)c(OC)c(OC)c1OC
InChIInChI=1S/C19H18ClNO5/c1-22-15-9-13(17(23-2)19(25-4)18(15)24-3)14-10-21-26-16(14)11-5-7-12(20)8-6-11/h5-10H,1-4H3
InChIKeyFQFHFDQIWOQHIM-UHFFFAOYSA-N
MW375.81 g/mol
LogP4.70
Rot. Bonds6

About 5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole

5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole (PubChem CID 58178294) has the molecular formula C19H18ClNO5 and a molecular weight of 375.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole
PubChem CID58178294
Molecular FormulaC19H18ClNO5
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC Name5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2cnoc2-c2ccc(Cl)cc2)c(OC)c(OC)c1OC
InChIInChI=1S/C19H18ClNO5/c1-22-15-9-13(17(23-2)19(25-4)18(15)24-3)14-10-21-26-16(14)11-5-7-12(20)8-6-11/h5-10H,1-4H3
InChIKeyFQFHFDQIWOQHIM-UHFFFAOYSA-N
XLogP4.70
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole (CID 58178294) is 5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole is COc1cc(-c2cnoc2-c2ccc(Cl)cc2)c(OC)c(OC)c1OC.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole?
The InChIKey is FQFHFDQIWOQHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO5/c1-22-15-9-13(17(23-2)19(25-4)18(15)24-3)14-10-21-26-16(14)11-5-7-12(20)8-6-11/h5-10H,1-4H3.
What are the key properties of 5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole?
5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole has a molecular weight of 375.81 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 58178294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).