2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile

C15H17FN4O — CID 106523607

IUPAC2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile
SMILESCCN(CC)CCc1noc(-c2cccc(F)c2C#N)n1
InChIInChI=1S/C15H17FN4O/c1-3-20(4-2)9-8-14-18-15(21-19-14)11-6-5-7-13(16)12(11)10-17/h5-7H,3-4,8-9H2,1-2H3
InChIKeyOCTIDTCFEDPHEM-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.63
Rot. Bonds6

About 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile

2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile (PubChem CID 106523607) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile
PubChem CID106523607
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile
SMILESCCN(CC)CCc1noc(-c2cccc(F)c2C#N)n1
InChIInChI=1S/C15H17FN4O/c1-3-20(4-2)9-8-14-18-15(21-19-14)11-6-5-7-13(16)12(11)10-17/h5-7H,3-4,8-9H2,1-2H3
InChIKeyOCTIDTCFEDPHEM-UHFFFAOYSA-N
XLogP2.63
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106524590
2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136712650
2-fluoro-6-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527271
2-fluoro-6-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106525614
2-fluoro-6-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 106527582
2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 106526414
2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 43331551
2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile
CID 79512645
N-[2-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-2-phenylacetamide
CID 53032865
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 104698797
2-fluoro-6-naphthalen-1-ylbenzonitrile
CID 114898445
2-fluoro-6-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527989

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile?
The IUPAC name of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile (CID 106523607) is 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile is CCN(CC)CCc1noc(-c2cccc(F)c2C#N)n1.
What is the InChIKey of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile?
The InChIKey is OCTIDTCFEDPHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-3-20(4-2)9-8-14-18-15(21-19-14)11-6-5-7-13(16)12(11)10-17/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile?
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile has a molecular weight of 288.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile is sourced from PubChem (CID 106523607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).