3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol

C25H17NO2 — CID 136746121

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C25H17NO2/c27-22-16-20-14-8-7-13-19(20)15-21(22)25-26-23(17-9-3-1-4-10-17)24(28-25)18-11-5-2-6-12-18/h1-16,27H
InChIKeyTUGMXTOCAQJJKV-UHFFFAOYSA-N
MW363.42 g/mol
LogP6.53
Rot. Bonds3

About 3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol

3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol (PubChem CID 136746121) has the molecular formula C25H17NO2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol
PubChem CID136746121
Molecular FormulaC25H17NO2
Molecular Weight363.42 g/mol
Exact Mass363.13
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C25H17NO2/c27-22-16-20-14-8-7-13-19(20)15-21(22)25-26-23(17-9-3-1-4-10-17)24(28-25)18-11-5-2-6-12-18/h1-16,27H
InChIKeyTUGMXTOCAQJJKV-UHFFFAOYSA-N
XLogP6.53
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol (CID 136746121) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol is Oc1cc2ccccc2cc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol?
The InChIKey is TUGMXTOCAQJJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO2/c27-22-16-20-14-8-7-13-19(20)15-21(22)25-26-23(17-9-3-1-4-10-17)24(28-25)18-11-5-2-6-12-18/h1-16,27H.
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol?
3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol has a molecular weight of 363.42 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol is sourced from PubChem (CID 136746121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).