1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol

C26H21NO2 — CID 174335339

IUPAC1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol
SMILESCC(C)c1nc2ccc(-c3cccc(-c4c(O)ccc5ccccc45)c3)cc2o1
InChIInChI=1S/C26H21NO2/c1-16(2)26-27-22-12-10-19(15-24(22)29-26)18-7-5-8-20(14-18)25-21-9-4-3-6-17(21)11-13-23(25)28/h3-16,28H,1-2H3
InChIKeyHONWTGJPBFTZCZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP7.14
Rot. Bonds3

About 1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol

1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol (PubChem CID 174335339) has the molecular formula C26H21NO2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol
PubChem CID174335339
Molecular FormulaC26H21NO2
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC Name1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol
SMILESCC(C)c1nc2ccc(-c3cccc(-c4c(O)ccc5ccccc45)c3)cc2o1
InChIInChI=1S/C26H21NO2/c1-16(2)26-27-22-12-10-19(15-24(22)29-26)18-7-5-8-20(14-18)25-21-9-4-3-6-17(21)11-13-23(25)28/h3-16,28H,1-2H3
InChIKeyHONWTGJPBFTZCZ-UHFFFAOYSA-N
XLogP7.14
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174333028
1-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol
CID 90766733
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole
CID 174332697
(1Z,3Z)-1-[6-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazol-2-yl]buta-1,3-diene-1,4-diamine
CID 174334163
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433768
1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
CID 102188168
2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174332752
1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol
CID 166754778
4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one
CID 139215217
5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole
CID 174334084

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol?
The IUPAC name of 1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol (CID 174335339) is 1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol?
The canonical SMILES for 1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol is CC(C)c1nc2ccc(-c3cccc(-c4c(O)ccc5ccccc45)c3)cc2o1.
What is the InChIKey of 1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol?
The InChIKey is HONWTGJPBFTZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2/c1-16(2)26-27-22-12-10-19(15-24(22)29-26)18-7-5-8-20(14-18)25-21-9-4-3-6-17(21)11-13-23(25)28/h3-16,28H,1-2H3.
What are the key properties of 1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol?
1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol has a molecular weight of 379.46 g/mol, XLogP of 7.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol is sourced from PubChem (CID 174335339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).