N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine

C13H14FN3O — CID 62716288

IUPACN-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESFc1ccccc1-c1noc(CCNC2CC2)n1
InChIInChI=1S/C13H14FN3O/c14-11-4-2-1-3-10(11)13-16-12(18-17-13)7-8-15-9-5-6-9/h1-4,9,15H,5-8H2
InChIKeyCTTSYPBGMWODML-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.17
Rot. Bonds5

About N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine

N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (PubChem CID 62716288) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
PubChem CID62716288
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESFc1ccccc1-c1noc(CCNC2CC2)n1
InChIInChI=1S/C13H14FN3O/c14-11-4-2-1-3-10(11)13-16-12(18-17-13)7-8-15-9-5-6-9/h1-4,9,15H,5-8H2
InChIKeyCTTSYPBGMWODML-UHFFFAOYSA-N
XLogP2.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 115533103
4-[5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810030
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080371
2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323403
4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323465
N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 107922484
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 110323402
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110323487
2,4-dichloro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323451
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 110323445
N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330731

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (CID 62716288) is N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is Fc1ccccc1-c1noc(CCNC2CC2)n1.
What is the InChIKey of N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The InChIKey is CTTSYPBGMWODML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-11-4-2-1-3-10(11)13-16-12(18-17-13)7-8-15-9-5-6-9/h1-4,9,15H,5-8H2.
What are the key properties of N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine has a molecular weight of 247.27 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 62716288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).