2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid

C24H27NO3 — CID 54508468

IUPAC2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid
SMILESCCCCCCCC(C(=O)O)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C24H27NO3/c1-2-3-4-5-12-17-20(24(26)27)23-25-21(18-13-8-6-9-14-18)22(28-23)19-15-10-7-11-16-19/h6-11,13-16,20H,2-5,12,17H2,1H3,(H,26,27)
InChIKeyYHKJEGJPUWPEDQ-UHFFFAOYSA-N
MW377.48 g/mol
LogP6.54
Rot. Bonds10

About 2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid

2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid (PubChem CID 54508468) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid.

Molecular Properties

Compound Name2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid
PubChem CID54508468
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid
SMILESCCCCCCCC(C(=O)O)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C24H27NO3/c1-2-3-4-5-12-17-20(24(26)27)23-25-21(18-13-8-6-9-14-18)22(28-23)19-15-10-7-11-16-19/h6-11,13-16,20H,2-5,12,17H2,1H3,(H,26,27)
InChIKeyYHKJEGJPUWPEDQ-UHFFFAOYSA-N
XLogP6.54
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

10-hydroxy-2-phenyloctadecanoic acid
CID 67642354
2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]octanoic acid
CID 21408285
2-naphthalen-1-yldodecanoic acid
CID 23333439
(2S)-4-(4,5-diphenyl-1,3-oxazol-2-yl)-2-(methoxymethoxy)octan-3-ol
CID 10993269
2-(2-ethoxyphenyl)octanoic acid
CID 174447209
(Z)-2-(4-phenylphenyl)octadec-9-enoic acid
CID 163591600
2-(1-benzofuran-3-yl)octanoic acid
CID 66764434
1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one
CID 170130807
2-(2-fluorophenyl)heptanoic acid
CID 79439623
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-phenyloctadecanoic acid
CID 68846606
1,1'-biphenyl;2-methyloctanoate
CID 22157313
2-phenyloctadecanoate
CID 22742145

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid?
The IUPAC name of 2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid (CID 54508468) is 2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid.
What is the SMILES notation for 2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid?
The canonical SMILES for 2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid is CCCCCCCC(C(=O)O)c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid?
The InChIKey is YHKJEGJPUWPEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-2-3-4-5-12-17-20(24(26)27)23-25-21(18-13-8-6-9-14-18)22(28-23)19-15-10-7-11-16-19/h6-11,13-16,20H,2-5,12,17H2,1H3,(H,26,27).
What are the key properties of 2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid?
2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid has a molecular weight of 377.48 g/mol, XLogP of 6.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid is sourced from PubChem (CID 54508468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).