3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-6-yl]propanoic acid

C22H18F3N3O3 — CID 11647624

IUPAC3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-6-yl]propanoic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ncc2ccc(CCC(=O)O)cc21
InChIInChI=1S/C22H18F3N3O3/c1-13-19(31-21(27-13)15-5-7-17(8-6-15)22(23,24)25)12-28-18-10-14(3-9-20(29)30)2-4-16(18)11-26-28/h2,4-8,10-11H,3,9,12H2,1H3,(H,29,30)
InChIKeyDRPWVKSRDKDTLQ-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-6-yl]propanoic acid

3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-6-yl]propanoic acid (PubChem CID 11647624) 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-6-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-6-yl]propanoic acid
PubChem CID11647624
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-6-yl]propanoic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ncc2ccc(CCC(=O)O)cc21
InChIInChI=1S/C22H18F3N3O3/c1-13-19(31-21(27-13)15-5-7-17(8-6-15)22(23,24)25)12-28-18-10-14(3-9-20(29)30)2-4-16(18)11-26-28/h2,4-8,10-11H,3,9,12H2,1H3,(H,29,30)
InChIKeyDRPWVKSRDKDTLQ-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-6-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

3-{4-[3-(5-Methyl-2-phenyl-oxazol-4-yl)-propyl]-phenyl}-2-[1,2,3]triazol-2-yl-propionic acid
CID 10202000
Phenylpropanoic acid derivative, 17d
CID 10223583
(2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid
CID 11339029
(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, 17e
CID 44246274
2-isopropoxy-3-(1-((5-methyl-2-(4-(trifluoromethyl)phenyl)oxazol-4-yl)methyl)-1H-indol-5-yl)propanoic acid
CID 10096908
2-ethoxy-3-(1-((5-methyl-2-(4-(trifluoromethyl)phenyl)oxazol-4-yl)methyl)-1H-indol-5-yl)propanoic acid
CID 10254209
3-(1-((5-methyl-2-(4-(trifluoromethyl)phenyl)oxazol-4-yl)methyl)-1H-indol-5-yl)-2-propoxypropanoic acid
CID 10254845
Phenylpropanoic acid derivative, 41
CID 44263421
Phenylpropanoic acid derivative, 54
CID 44263423
(2R)-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]indol-5-yl]-2-propan-2-yloxypropanoic acid
CID 70681805

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-6-yl]propanoic acid?
The IUPAC name of 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-6-yl]propanoic acid (CID 11647624) is 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-6-yl]propanoic acid.
What is the SMILES notation for 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-6-yl]propanoic acid?
The canonical SMILES for 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-6-yl]propanoic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ncc2ccc(CCC(=O)O)cc21.
What is the InChIKey of 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-6-yl]propanoic acid?
The InChIKey is DRPWVKSRDKDTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3/c1-13-19(31-21(27-13)15-5-7-17(8-6-15)22(23,24)25)12-28-18-10-14(3-9-20(29)30)2-4-16(18)11-26-28/h2,4-8,10-11H,3,9,12H2,1H3,(H,29,30).
What are the key properties of 3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-6-yl]propanoic acid?
3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-6-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-6-yl]propanoic acid is sourced from PubChem (CID 11647624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).