4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid

C17H25N3O4 — CID 120674474

IUPAC4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1nc(C2(NC(=O)C3CCC(C(=O)O)CC3)CCCC2)no1
InChIInChI=1S/C17H25N3O4/c1-2-13-18-16(20-24-13)17(9-3-4-10-17)19-14(21)11-5-7-12(8-6-11)15(22)23/h11-12H,2-10H2,1H3,(H,19,21)(H,22,23)
InChIKeyAKDJDHKTMIONIG-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.41
Rot. Bonds5

About 4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120674474) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120674474
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1nc(C2(NC(=O)C3CCC(C(=O)O)CC3)CCCC2)no1
InChIInChI=1S/C17H25N3O4/c1-2-13-18-16(20-24-13)17(9-3-4-10-17)19-14(21)11-5-7-12(8-6-11)15(22)23/h11-12H,2-10H2,1H3,(H,19,21)(H,22,23)
InChIKeyAKDJDHKTMIONIG-UHFFFAOYSA-N
XLogP2.41
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]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-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120674474) is 4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid is CCc1nc(C2(NC(=O)C3CCC(C(=O)O)CC3)CCCC2)no1.
What is the InChIKey of 4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is AKDJDHKTMIONIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-2-13-18-16(20-24-13)17(9-3-4-10-17)19-14(21)11-5-7-12(8-6-11)15(22)23/h11-12H,2-10H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).