4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid

C23H19F5N4O5 — CID 58230899

IUPAC4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1ccc(OC2CCC(C(=O)O)CC2)nc1)c1nnc(Nc2cc(C(F)(F)F)c(F)cc2F)o1
InChIInChI=1S/C23H19F5N4O5/c24-15-9-16(25)17(8-14(15)23(26,27)28)30-22-32-31-20(37-22)18(33)7-11-1-6-19(29-10-11)36-13-4-2-12(3-5-13)21(34)35/h1,6,8-10,12-13H,2-5,7H2,(H,30,32)(H,34,35)
InChIKeyZWQBOFKNCZKOEB-UHFFFAOYSA-N
MW526.42 g/mol
LogP4.95
Rot. Bonds8

About 4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid

4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid (PubChem CID 58230899) has the molecular formula C23H19F5N4O5 and a molecular weight of 526.42 g/mol. Its IUPAC name is 4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
PubChem CID58230899
Molecular FormulaC23H19F5N4O5
Molecular Weight526.42 g/mol
Exact Mass526.13
IUPAC Name4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1ccc(OC2CCC(C(=O)O)CC2)nc1)c1nnc(Nc2cc(C(F)(F)F)c(F)cc2F)o1
InChIInChI=1S/C23H19F5N4O5/c24-15-9-16(25)17(8-14(15)23(26,27)28)30-22-32-31-20(37-22)18(33)7-11-1-6-19(29-10-11)36-13-4-2-12(3-5-13)21(34)35/h1,6,8-10,12-13H,2-5,7H2,(H,30,32)(H,34,35)
InChIKeyZWQBOFKNCZKOEB-UHFFFAOYSA-N
XLogP4.95
TPSA127.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.42
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic 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 4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid (CID 58230899) is 4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid is O=C(Cc1ccc(OC2CCC(C(=O)O)CC2)nc1)c1nnc(Nc2cc(C(F)(F)F)c(F)cc2F)o1.
What is the InChIKey of 4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The InChIKey is ZWQBOFKNCZKOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F5N4O5/c24-15-9-16(25)17(8-14(15)23(26,27)28)30-22-32-31-20(37-22)18(33)7-11-1-6-19(29-10-11)36-13-4-2-12(3-5-13)21(34)35/h1,6,8-10,12-13H,2-5,7H2,(H,30,32)(H,34,35).
What are the key properties of 4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid has a molecular weight of 526.42 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-[5-[2,4-difluoro-5-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 58230899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).