6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid

C26H17NO3 — CID 10430529

IUPAC6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(-c3nc(-c4ccccc4)c(-c4ccccc4)o3)ccc2c1
InChIInChI=1S/C26H17NO3/c28-26(29)22-14-12-19-15-21(13-11-20(19)16-22)25-27-23(17-7-3-1-4-8-17)24(30-25)18-9-5-2-6-10-18/h1-16H,(H,28,29)
InChIKeyXNVFEBLZUGETCL-UHFFFAOYSA-N
MW391.43 g/mol
LogP6.53
Rot. Bonds4

About 6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid

6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid (PubChem CID 10430529) has the molecular formula C26H17NO3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid
PubChem CID10430529
Molecular FormulaC26H17NO3
Molecular Weight391.43 g/mol
Exact Mass391.12
IUPAC Name6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(-c3nc(-c4ccccc4)c(-c4ccccc4)o3)ccc2c1
InChIInChI=1S/C26H17NO3/c28-26(29)22-14-12-19-15-21(13-11-20(19)16-22)25-27-23(17-7-3-1-4-8-17)24(30-25)18-9-5-2-6-10-18/h1-16H,(H,28,29)
InChIKeyXNVFEBLZUGETCL-UHFFFAOYSA-N
XLogP6.53
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-yl]oxypentyl]propanedioic acid
CID 10347082
3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol
CID 10470825
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991
6-[4-(6-carboxynaphthalen-2-yl)phenyl]naphthalene-2-carboxylic acid
CID 175448774
3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol
CID 136746121
2-[6-(6-carboxy-4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-4-oxo-3,1-benzoxazine-6-carboxylic acid
CID 18432266
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
naphthalene-2-carboxylic acid
CID 175967775
3-[[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-3-en-1-yl]methyl]benzoic acid
CID 21196529
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247
4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline
CID 18330802
hexacene-2-carboxylic acid
CID 87430666

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid?
The IUPAC name of 6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid (CID 10430529) is 6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid is O=C(O)c1ccc2cc(-c3nc(-c4ccccc4)c(-c4ccccc4)o3)ccc2c1.
What is the InChIKey of 6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid?
The InChIKey is XNVFEBLZUGETCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO3/c28-26(29)22-14-12-19-15-21(13-11-20(19)16-22)25-27-23(17-7-3-1-4-8-17)24(30-25)18-9-5-2-6-10-18/h1-16H,(H,28,29).
What are the key properties of 6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid?
6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid has a molecular weight of 391.43 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 10430529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).