N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine

C13H17N3O2 — CID 134038411

IUPACN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine
SMILESCc1noc(CN(C)CCOc2ccccc2)n1
InChIInChI=1S/C13H17N3O2/c1-11-14-13(18-15-11)10-16(2)8-9-17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3
InChIKeyADJZTUXOJGZLOU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.89
Rot. Bonds6

About N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine

N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine (PubChem CID 134038411) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine
PubChem CID134038411
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine
SMILESCc1noc(CN(C)CCOc2ccccc2)n1
InChIInChI=1S/C13H17N3O2/c1-11-14-13(18-15-11)10-16(2)8-9-17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3
InChIKeyADJZTUXOJGZLOU-UHFFFAOYSA-N
XLogP1.89
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyethanamine
CID 86992410
(1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine
CID 95155397
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine
CID 50955634
2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 134018560
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine
CID 31319686
2-(2-chlorophenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanamine
CID 27122658
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752
3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine
CID 52679477
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 134038345
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734
3-(3-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine
CID 52679753
1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
CID 62015929

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine?
The IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine (CID 134038411) is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine is Cc1noc(CN(C)CCOc2ccccc2)n1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine?
The InChIKey is ADJZTUXOJGZLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-11-14-13(18-15-11)10-16(2)8-9-17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine?
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine is sourced from PubChem (CID 134038411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).