3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid

C21H35FN2O3 — CID 177099696

IUPAC3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C2NOC(C3CCC(C4CCCCC4)CC3F)N2)C1
InChIInChI=1S/C21H35FN2O3/c22-18-12-14(13-5-2-1-3-6-13)9-10-17(18)20-23-19(24-27-20)15-7-4-8-16(11-15)21(25)26/h13-20,23-24H,1-12H2,(H,25,26)
InChIKeyCGCHFJHGOIZICX-UHFFFAOYSA-N
MW382.52 g/mol
LogP3.99
Rot. Bonds4

About 3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid

3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid (PubChem CID 177099696) has the molecular formula C21H35FN2O3 and a molecular weight of 382.52 g/mol. Its IUPAC name is 3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid
PubChem CID177099696
Molecular FormulaC21H35FN2O3
Molecular Weight382.52 g/mol
Exact Mass382.26
IUPAC Name3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C2NOC(C3CCC(C4CCCCC4)CC3F)N2)C1
InChIInChI=1S/C21H35FN2O3/c22-18-12-14(13-5-2-1-3-6-13)9-10-17(18)20-23-19(24-27-20)15-7-4-8-16(11-15)21(25)26/h13-20,23-24H,1-12H2,(H,25,26)
InChIKeyCGCHFJHGOIZICX-UHFFFAOYSA-N
XLogP3.99
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]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

Related Compounds

3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid
CID 177099597
3-[5-[3-(2-chloro-6-fluorocyclohexyl)-5-methyl-1,2-oxazolidin-4-yl]-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid
CID 177099571
(3R,4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-3-carboxylic acid
CID 131049059
3-[5-(4-pentoxycyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid
CID 177099708
3-[5-[(4-chlorocyclohexyl)oxymethyl]-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid
CID 177099642
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid;acetic acid
CID 175499528
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclohexyl)methanone
CID 114962205
4-[3-(4-carboxycyclohexyl)cyclohexyl]cyclohexane-1-carboxylic acid
CID 22445971
3-(2-boronocyclohexyl)cyclohexane-1-carboxylic acid
CID 140651366
CID 53471629
CID 53471629
2-cyclononylcyclohexane-1,4-dicarboxylic acid
CID 139878534
bicyclo[4.1.0]heptane-3-carboxylic acid
CID 13203182

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid (CID 177099696) is 3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C2NOC(C3CCC(C4CCCCC4)CC3F)N2)C1.
What is the InChIKey of 3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid?
The InChIKey is CGCHFJHGOIZICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35FN2O3/c22-18-12-14(13-5-2-1-3-6-13)9-10-17(18)20-23-19(24-27-20)15-7-4-8-16(11-15)21(25)26/h13-20,23-24H,1-12H2,(H,25,26).
What are the key properties of 3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid?
3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid has a molecular weight of 382.52 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 177099696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).