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

C23H19NO4 — CID 135855800

IUPAC4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
SMILESCOc1ccc(-c2noc(-c3ccc(O)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19NO4/c1-26-19-11-5-15(6-12-19)21-22(16-7-13-20(27-2)14-8-16)24-28-23(21)17-3-9-18(25)10-4-17/h3-14,25H,1-2H3
InChIKeyLZRJUUJQHJKWLY-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.40
Rot. Bonds5

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

4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol (PubChem CID 135855800) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
PubChem CID135855800
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
SMILESCOc1ccc(-c2noc(-c3ccc(O)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19NO4/c1-26-19-11-5-15(6-12-19)21-22(16-7-13-20(27-2)14-8-16)24-28-23(21)17-3-9-18(25)10-4-17/h3-14,25H,1-2H3
InChIKeyLZRJUUJQHJKWLY-UHFFFAOYSA-N
XLogP5.40
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-hydroxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol
CID 135855834
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate
CID 16640377
(111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate
CID 77105395
1-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]butan-2-one
CID 90334997
methane;4-methoxyphenol
CID 159494332
2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol
CID 137193908
[5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol
CID 54846669
4-methoxyphenol;4-methylphenol
CID 158312507
4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol
CID 142215831
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol (CID 135855800) is 4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol is COc1ccc(-c2noc(-c3ccc(O)cc3)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol?
The InChIKey is LZRJUUJQHJKWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-26-19-11-5-15(6-12-19)21-22(16-7-13-20(27-2)14-8-16)24-28-23(21)17-3-9-18(25)10-4-17/h3-14,25H,1-2H3.
What are the key properties of 4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol?
4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol has a molecular weight of 373.41 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 135855800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).