3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid

C23H19F3N2O3 — CID 11560978

IUPAC3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cc(CCC(=O)O)ccc21
InChIInChI=1S/C23H19F3N2O3/c1-14-20(31-22(27-14)16-4-6-18(7-5-16)23(24,25)26)13-28-11-10-17-12-15(2-8-19(17)28)3-9-21(29)30/h2,4-8,10-12H,3,9,13H2,1H3,(H,29,30)
InChIKeyVQNSBUIZMNBYSP-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.69
Rot. Bonds6

About 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid

3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid (PubChem CID 11560978) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid
PubChem CID11560978
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cc(CCC(=O)O)ccc21
InChIInChI=1S/C23H19F3N2O3/c1-14-20(31-22(27-14)16-4-6-18(7-5-16)23(24,25)26)13-28-11-10-17-12-15(2-8-19(17)28)3-9-21(29)30/h2,4-8,10-12H,3,9,13H2,1H3,(H,29,30)
InChIKeyVQNSBUIZMNBYSP-UHFFFAOYSA-N
XLogP5.69
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic 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

(2S)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-indol-5-yl)-2-ethoxypropanoic acid
CID 9549225
PD-0333941
CID 10134976
(2s)-3-{4-[3-(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)propyl]phenyl}-2-(1h-Pyrrol-1-Yl)propanoic Acid
CID 24963031
Phenylpropanoic acid derivative, 40
CID 25014794
Phenylpropanoic acid derivative, 28
CID 44263416
Phenylpropanoic acid derivative, 66
CID 44263426
(R)-2,4-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)oxazole
CID 46890688
Phenylpropanoic acid derivative, 55
CID 10296059
Phenylpropanoic acid derivative, 74
CID 44263427
Phenylpropanoic acid derivative, 75
CID 44263428
6-[2-[4-Phenyl-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid
CID 70688066
3-(1-((2-(3-chlorophenyl)-5-methyloxazol-4-yl)methyl)-1H-indol-5-yl)-2-ethoxypropanoic acid
CID 9980586

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid?
The IUPAC name of 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid (CID 11560978) is 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid.
What is the SMILES notation for 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid?
The canonical SMILES for 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cc(CCC(=O)O)ccc21.
What is the InChIKey of 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid?
The InChIKey is VQNSBUIZMNBYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-14-20(31-22(27-14)16-4-6-18(7-5-16)23(24,25)26)13-28-11-10-17-12-15(2-8-19(17)28)3-9-21(29)30/h2,4-8,10-12H,3,9,13H2,1H3,(H,29,30).
What are the key properties of 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid?
3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid has a molecular weight of 428.41 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic acid is sourced from PubChem (CID 11560978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).