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

C22H18F3N3O3 — CID 11560998

IUPAC3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-4-yl]propanoic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ncc2c(CCC(=O)O)cccc21
InChIInChI=1S/C22H18F3N3O3/c1-13-19(31-21(27-13)15-5-8-16(9-6-15)22(23,24)25)12-28-18-4-2-3-14(7-10-20(29)30)17(18)11-26-28/h2-6,8-9,11H,7,10,12H2,1H3,(H,29,30)
InChIKeyUPTJRKNDBJPMDK-UHFFFAOYSA-N
MW429.40 g/mol
LogP5.08
Rot. Bonds6

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

3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-4-yl]propanoic acid (PubChem CID 11560998) has the molecular formula C22H18F3N3O3 and a molecular weight of 429.40 g/mol. Its IUPAC name is 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-4-yl]propanoic acid
PubChem CID11560998
Molecular FormulaC22H18F3N3O3
Molecular Weight429.40 g/mol
Exact Mass429.13
IUPAC Name3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-4-yl]propanoic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ncc2c(CCC(=O)O)cccc21
InChIInChI=1S/C22H18F3N3O3/c1-13-19(31-21(27-13)15-5-8-16(9-6-15)22(23,24)25)12-28-18-4-2-3-14(7-10-20(29)30)17(18)11-26-28/h2-6,8-9,11H,7,10,12H2,1H3,(H,29,30)
InChIKeyUPTJRKNDBJPMDK-UHFFFAOYSA-N
XLogP5.08
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Phenylpropanoic acid derivative, 17d
CID 10223583
Phenylpropanoic acid derivative, 17e
CID 44246274
US10196354, Example 9B
CID 73295425
4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-6-(5-methyloxazol-2-yl)-1H-indazol-3-yl)benzoate
CID 138752730
Phenylpropanoic acid derivative, 17f
CID 44246275
2-(4-Fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole
CID 139216508
5-(1-Methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 139216511
2-(3,4-Difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole
CID 139216513
2-(3,4-Difluorobenzyl)-5-(1-methyl-1H-indazol-3-yl)oxazole
CID 139216515
2-(1-Benzyl-3-(4-(trifluoromethyl)phenyl)-1h-pyrazol-4-yl)benzo[d]oxazole
CID 175684558
2-(1-Benzyl-3-(4-(trifluoromethyl)phenyl)-1h-pyrazol-4-yl)-5-methylbenzo[d]oxazole
CID 175684562
2-(1-Benzyl-3-(4-(trifluoromethyl)phenyl)-1h-pyrazol-4-yl)-6-methylbenzo[d]oxazole
CID 175684563

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-4-yl]propanoic acid (CID 11560998) is 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-4-yl]propanoic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ncc2c(CCC(=O)O)cccc21.
What is the InChIKey of 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-4-yl]propanoic acid?
The InChIKey is UPTJRKNDBJPMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3/c1-13-19(31-21(27-13)15-5-8-16(9-6-15)22(23,24)25)12-28-18-4-2-3-14(7-10-20(29)30)17(18)11-26-28/h2-6,8-9,11H,7,10,12H2,1H3,(H,29,30).
What are the key properties of 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-4-yl]propanoic acid?
3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-4-yl]propanoic acid has a molecular weight of 429.40 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]indazol-4-yl]propanoic acid is sourced from PubChem (CID 11560998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).