N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine

C17H23N3O2 — CID 60509136

IUPACN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine
SMILESCC(c1nc(C2CC2)no1)N(C)CCCOc1ccccc1
InChIInChI=1S/C17H23N3O2/c1-13(17-18-16(19-22-17)14-9-10-14)20(2)11-6-12-21-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3
InChIKeyWHXJEBXNLUCYNL-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.41
Rot. Bonds8

About N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine (PubChem CID 60509136) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine
PubChem CID60509136
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine
SMILESCC(c1nc(C2CC2)no1)N(C)CCCOc1ccccc1
InChIInChI=1S/C17H23N3O2/c1-13(17-18-16(19-22-17)14-9-10-14)20(2)11-6-12-21-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3
InChIKeyWHXJEBXNLUCYNL-UHFFFAOYSA-N
XLogP3.41
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine
CID 95155397
3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole
CID 87018157
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 97312274
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 87013360
3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 47053117
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]-1-(2-methoxyphenyl)-N-methylethanamine
CID 51078362
2-[(1S)-1-[methyl(3-phenoxypropyl)amino]ethyl]-3H-quinazolin-4-one
CID 135948668
2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol
CID 95344493
(2R)-1-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95341243
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-phenylmethanamine
CID 25453292
3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 56788663

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine?
The IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine (CID 60509136) is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine.
What is the SMILES notation for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine?
The canonical SMILES for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine is CC(c1nc(C2CC2)no1)N(C)CCCOc1ccccc1.
What is the InChIKey of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine?
The InChIKey is WHXJEBXNLUCYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(17-18-16(19-22-17)14-9-10-14)20(2)11-6-12-21-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3.
What are the key properties of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine?
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine has a molecular weight of 301.39 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine is sourced from PubChem (CID 60509136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).