1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine

C14H16FN3O — CID 63348646

IUPAC1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCNC(Cc1nc(-c2cccc(F)c2)no1)C1CC1
InChIInChI=1S/C14H16FN3O/c1-16-12(9-5-6-9)8-13-17-14(18-19-13)10-3-2-4-11(15)7-10/h2-4,7,9,12,16H,5-6,8H2,1H3
InChIKeyDUDUVSUHODIHRW-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.42
Rot. Bonds5

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

1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine (PubChem CID 63348646) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
PubChem CID63348646
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCNC(Cc1nc(-c2cccc(F)c2)no1)C1CC1
InChIInChI=1S/C14H16FN3O/c1-16-12(9-5-6-9)8-13-17-14(18-19-13)10-3-2-4-11(15)7-10/h2-4,7,9,12,16H,5-6,8H2,1H3
InChIKeyDUDUVSUHODIHRW-UHFFFAOYSA-N
XLogP2.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63349041
1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 107504658
1-cyclopropyl-2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 66070680
1-cyclopropyl-N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63347026
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63346038
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63348066
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63347887
1-cyclopropyl-N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 81147622
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-methylethanamine
CID 63350689
1-cyclopropyl-N-methyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347146
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-methylethanamine
CID 103445450
1-cyclopropyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 55200681

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine (CID 63348646) is 1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine is CNC(Cc1nc(-c2cccc(F)c2)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The InChIKey is DUDUVSUHODIHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-16-12(9-5-6-9)8-13-17-14(18-19-13)10-3-2-4-11(15)7-10/h2-4,7,9,12,16H,5-6,8H2,1H3.
What are the key properties of 1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine has a molecular weight of 261.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 63348646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).