3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide

C21H21FN4O3 — CID 53181958

IUPAC3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
SMILESCOc1ccc(C(=O)NC2(c3nc(-c4cccnc4)no3)CCCCC2)cc1F
InChIInChI=1S/C21H21FN4O3/c1-28-17-8-7-14(12-16(17)22)19(27)25-21(9-3-2-4-10-21)20-24-18(26-29-20)15-6-5-11-23-13-15/h5-8,11-13H,2-4,9-10H2,1H3,(H,25,27)
InChIKeyVFAXIIKEGJGPKR-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.87
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide

3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide (PubChem CID 53181958) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
PubChem CID53181958
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
SMILESCOc1ccc(C(=O)NC2(c3nc(-c4cccnc4)no3)CCCCC2)cc1F
InChIInChI=1S/C21H21FN4O3/c1-28-17-8-7-14(12-16(17)22)19(27)25-21(9-3-2-4-10-21)20-24-18(26-29-20)15-6-5-11-23-13-15/h5-8,11-13H,2-4,9-10H2,1H3,(H,25,27)
InChIKeyVFAXIIKEGJGPKR-UHFFFAOYSA-N
XLogP3.87
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide 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 3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide (CID 53181958) is 3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide is COc1ccc(C(=O)NC2(c3nc(-c4cccnc4)no3)CCCCC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The InChIKey is VFAXIIKEGJGPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-17-8-7-14(12-16(17)22)19(27)25-21(9-3-2-4-10-21)20-24-18(26-29-20)15-6-5-11-23-13-15/h5-8,11-13H,2-4,9-10H2,1H3,(H,25,27).
What are the key properties of 3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide is sourced from PubChem (CID 53181958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).