3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one

C17H21FN4O2 — CID 167902752

IUPAC3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
SMILESO=c1[nH]c2c(cc1-c1noc(C(F)CC3CCCC3)n1)CNCC2
InChIInChI=1S/C17H21FN4O2/c18-13(7-10-3-1-2-4-10)17-21-15(22-24-17)12-8-11-9-19-6-5-14(11)20-16(12)23/h8,10,13,19H,1-7,9H2,(H,20,23)
InChIKeySRAXFOMATJCFQZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.66
Rot. Bonds4

About 3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one

3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one (PubChem CID 167902752) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
PubChem CID167902752
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
SMILESO=c1[nH]c2c(cc1-c1noc(C(F)CC3CCCC3)n1)CNCC2
InChIInChI=1S/C17H21FN4O2/c18-13(7-10-3-1-2-4-10)17-21-15(22-24-17)12-8-11-9-19-6-5-14(11)20-16(12)23/h8,10,13,19H,1-7,9H2,(H,20,23)
InChIKeySRAXFOMATJCFQZ-UHFFFAOYSA-N
XLogP2.66
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one 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-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The IUPAC name of 3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one (CID 167902752) is 3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one is O=c1[nH]c2c(cc1-c1noc(C(F)CC3CCCC3)n1)CNCC2.
What is the InChIKey of 3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The InChIKey is SRAXFOMATJCFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c18-13(7-10-3-1-2-4-10)17-21-15(22-24-17)12-8-11-9-19-6-5-14(11)20-16(12)23/h8,10,13,19H,1-7,9H2,(H,20,23).
What are the key properties of 3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one has a molecular weight of 332.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 167902752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).