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

C15H18FN3O — CID 97312274

IUPAC(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
SMILESC[C@@H](c1nc(C2CC2)no1)N(C)Cc1cccc(F)c1
InChIInChI=1S/C15H18FN3O/c1-10(15-17-14(18-20-15)12-6-7-12)19(2)9-11-4-3-5-13(16)8-11/h3-5,8,10,12H,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeyXIJRKVQFXSLTPV-JTQLQIEISA-N
MW275.33 g/mol
LogP3.28
Rot. Bonds5

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

(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine (PubChem CID 97312274) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
PubChem CID97312274
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
SMILESC[C@@H](c1nc(C2CC2)no1)N(C)Cc1cccc(F)c1
InChIInChI=1S/C15H18FN3O/c1-10(15-17-14(18-20-15)12-6-7-12)19(2)9-11-4-3-5-13(16)8-11/h3-5,8,10,12H,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeyXIJRKVQFXSLTPV-JTQLQIEISA-N
XLogP3.28
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 78843166
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 87013360
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine
CID 60509136
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 80979874
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 51076927
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-phenylmethanamine
CID 25453292
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 51078362
2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80956101
(1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol
CID 99778217
2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol
CID 97084016
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
CID 51078845
2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol
CID 95344493

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The IUPAC name of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine (CID 97312274) is (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The canonical SMILES for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine is C[C@@H](c1nc(C2CC2)no1)N(C)Cc1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The InChIKey is XIJRKVQFXSLTPV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10(15-17-14(18-20-15)12-6-7-12)19(2)9-11-4-3-5-13(16)8-11/h3-5,8,10,12H,6-7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine has a molecular weight of 275.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 97312274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).