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

C21H16F3N3O3 — CID 154007825

IUPAC2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ncc2cc(CC(=O)O)ccc21
InChIInChI=1S/C21H16F3N3O3/c1-12-18(30-20(26-12)14-3-5-16(6-4-14)21(22,23)24)11-27-17-7-2-13(9-19(28)29)8-15(17)10-25-27/h2-8,10H,9,11H2,1H3,(H,28,29)
InChIKeyAMXIBMHUUNFDSZ-UHFFFAOYSA-N
MW415.37 g/mol
LogP4.69
Rot. Bonds5

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

2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid (PubChem CID 154007825) has the molecular formula C21H16F3N3O3 and a molecular weight of 415.37 g/mol. Its IUPAC name is 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid
PubChem CID154007825
Molecular FormulaC21H16F3N3O3
Molecular Weight415.37 g/mol
Exact Mass415.11
IUPAC Name2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ncc2cc(CC(=O)O)ccc21
InChIInChI=1S/C21H16F3N3O3/c1-12-18(30-20(26-12)14-3-5-16(6-4-14)21(22,23)24)11-27-17-7-2-13(9-19(28)29)8-15(17)10-25-27/h2-8,10H,9,11H2,1H3,(H,28,29)
InChIKeyAMXIBMHUUNFDSZ-UHFFFAOYSA-N
XLogP4.69
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid?
The IUPAC name of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid (CID 154007825) is 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ncc2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid?
The InChIKey is AMXIBMHUUNFDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O3/c1-12-18(30-20(26-12)14-3-5-16(6-4-14)21(22,23)24)11-27-17-7-2-13(9-19(28)29)8-15(17)10-25-27/h2-8,10H,9,11H2,1H3,(H,28,29).
What are the key properties of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid?
2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid has a molecular weight of 415.37 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid is sourced from PubChem (CID 154007825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).