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

C24H23F3N2O4S — CID 89291684

IUPAC3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid
SMILESCC1N=C(c2ccc(C(F)(F)F)cc2)SC1COc1ccc(C(CC(=O)O)C2=NOCC2)cc1
InChIInChI=1S/C24H23F3N2O4S/c1-14-21(34-23(28-14)16-2-6-17(7-3-16)24(25,26)27)13-32-18-8-4-15(5-9-18)19(12-22(30)31)20-10-11-33-29-20/h2-9,14,19,21H,10-13H2,1H3,(H,30,31)
InChIKeyRTDUKTMYHMGPLY-UHFFFAOYSA-N
MW492.52 g/mol
LogP5.37
Rot. Bonds8

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

3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid (PubChem CID 89291684) has the molecular formula C24H23F3N2O4S and a molecular weight of 492.52 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid
PubChem CID89291684
Molecular FormulaC24H23F3N2O4S
Molecular Weight492.52 g/mol
Exact Mass492.13
IUPAC Name3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid
SMILESCC1N=C(c2ccc(C(F)(F)F)cc2)SC1COc1ccc(C(CC(=O)O)C2=NOCC2)cc1
InChIInChI=1S/C24H23F3N2O4S/c1-14-21(34-23(28-14)16-2-6-17(7-3-16)24(25,26)27)13-32-18-8-4-15(5-9-18)19(12-22(30)31)20-10-11-33-29-20/h2-9,14,19,21H,10-13H2,1H3,(H,30,31)
InChIKeyRTDUKTMYHMGPLY-UHFFFAOYSA-N
XLogP5.37
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.52
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid with MolForge

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Related Compounds

(3S)-3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid
CID 89291690
2-[3,5-dimethyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid
CID 71069800
(3S)-3-(5-methyl-1,2-oxazol-3-yl)-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
CID 59300623
methyl 2-[5-fluoro-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetate
CID 71069826
3-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]butanoic acid
CID 70842742
(3R)-3-(1,2-oxazol-3-yl)-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
CID 24897466
4-[(1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptoxy]benzoic acid
CID 67375362
3-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]butanoic acid
CID 117242534
4-amino-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 66090940
(2R,5S)-2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylic acid
CID 141207575
3-[4-(2,2,2-trifluoroethoxy)phenyl]pentanedioic acid
CID 21068680
2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid
CID 71044220

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid?
The IUPAC name of 3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid (CID 89291684) is 3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid is CC1N=C(c2ccc(C(F)(F)F)cc2)SC1COc1ccc(C(CC(=O)O)C2=NOCC2)cc1.
What is the InChIKey of 3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid?
The InChIKey is RTDUKTMYHMGPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4S/c1-14-21(34-23(28-14)16-2-6-17(7-3-16)24(25,26)27)13-32-18-8-4-15(5-9-18)19(12-22(30)31)20-10-11-33-29-20/h2-9,14,19,21H,10-13H2,1H3,(H,30,31).
What are the key properties of 3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid?
3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid has a molecular weight of 492.52 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 89291684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).