2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid

C24H27NO4 — CID 69223571

IUPAC2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid
SMILESCCCC(C)(Oc1ccc(CCCc2cc(-c3ccccc3)no2)cc1)C(=O)O
InChIInChI=1S/C24H27NO4/c1-3-16-24(2,23(26)27)28-20-14-12-18(13-15-20)8-7-11-21-17-22(25-29-21)19-9-5-4-6-10-19/h4-6,9-10,12-15,17H,3,7-8,11,16H2,1-2H3,(H,26,27)
InChIKeyYYGNLDNGVVGEDO-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.54
Rot. Bonds10

About 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid

2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid (PubChem CID 69223571) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid
PubChem CID69223571
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid
SMILESCCCC(C)(Oc1ccc(CCCc2cc(-c3ccccc3)no2)cc1)C(=O)O
InChIInChI=1S/C24H27NO4/c1-3-16-24(2,23(26)27)28-20-14-12-18(13-15-20)8-7-11-21-17-22(25-29-21)19-9-5-4-6-10-19/h4-6,9-10,12-15,17H,3,7-8,11,16H2,1-2H3,(H,26,27)
InChIKeyYYGNLDNGVVGEDO-UHFFFAOYSA-N
XLogP5.54
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate
CID 59667385
2-[4-[3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]propoxy]phenoxy]-2-methylbutanoic acid
CID 11502868
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
CID 11502852
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646
4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434
2-methyl-2-[4-(methylaminomethyl)phenoxy]pentanoic acid
CID 69141990
2-(4-ethylphenoxy)-2-methyloctanoic acid
CID 175308867
2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid
CID 70554359
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol
CID 58787883
2-(3,4-dimethylphenoxy)-2-methylpentanoic acid
CID 114992362
(2S)-2-(4-benzylphenoxy)-2-methylpentanamide
CID 92967593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid?
The IUPAC name of 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid (CID 69223571) is 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid?
The canonical SMILES for 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid is CCCC(C)(Oc1ccc(CCCc2cc(-c3ccccc3)no2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid?
The InChIKey is YYGNLDNGVVGEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-3-16-24(2,23(26)27)28-20-14-12-18(13-15-20)8-7-11-21-17-22(25-29-21)19-9-5-4-6-10-19/h4-6,9-10,12-15,17H,3,7-8,11,16H2,1-2H3,(H,26,27).
What are the key properties of 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid?
2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid has a molecular weight of 393.48 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid is sourced from PubChem (CID 69223571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).