3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide

C14H17FN4O2 — CID 106408836

IUPAC3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NCCc1ncno1
InChIInChI=1S/C14H17FN4O2/c1-2-7-16-13-10(4-3-5-11(13)15)14(20)17-8-6-12-18-9-19-21-12/h3-5,9,16H,2,6-8H2,1H3,(H,17,20)
InChIKeyKCMLLFRRCMXTCW-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.00
Rot. Bonds7

About 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide

3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide (PubChem CID 106408836) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide
PubChem CID106408836
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NCCc1ncno1
InChIInChI=1S/C14H17FN4O2/c1-2-7-16-13-10(4-3-5-11(13)15)14(20)17-8-6-12-18-9-19-21-12/h3-5,9,16H,2,6-8H2,1H3,(H,17,20)
InChIKeyKCMLLFRRCMXTCW-UHFFFAOYSA-N
XLogP2.00
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide 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

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide
CID 106408591
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106408720
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103744021
3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 62649386
2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103890610
3-fluoro-N-[2-(methanesulfonamido)ethyl]-2-(propylamino)benzamide
CID 62662394
6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103873715
N-[2-(dimethylamino)propyl]-3-fluoro-2-(propylamino)benzamide
CID 62660881
2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 103765613
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide?
The IUPAC name of 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide (CID 106408836) is 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide?
The canonical SMILES for 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide is CCCNc1c(F)cccc1C(=O)NCCc1ncno1.
What is the InChIKey of 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide?
The InChIKey is KCMLLFRRCMXTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-2-7-16-13-10(4-3-5-11(13)15)14(20)17-8-6-12-18-9-19-21-12/h3-5,9,16H,2,6-8H2,1H3,(H,17,20).
What are the key properties of 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide?
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide has a molecular weight of 292.31 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide is sourced from PubChem (CID 106408836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).