N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine

C15H21N3O2 — CID 104548430

IUPACN-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCCCOCc1noc(-c2ccccc2CCNC)n1
InChIInChI=1S/C15H21N3O2/c1-3-10-19-11-14-17-15(20-18-14)13-7-5-4-6-12(13)8-9-16-2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyCPPCDIHZAPGZQJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.43
Rot. Bonds8

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

N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (PubChem CID 104548430) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
PubChem CID104548430
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCCCOCc1noc(-c2ccccc2CCNC)n1
InChIInChI=1S/C15H21N3O2/c1-3-10-19-11-14-17-15(20-18-14)13-7-5-4-6-12(13)8-9-16-2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyCPPCDIHZAPGZQJ-UHFFFAOYSA-N
XLogP2.43
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine
CID 116799675
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62344085
2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 12551367
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylethanamine
CID 116701673
N-methyl-2-[2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 136984550
2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol
CID 137002850
3-methyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136927411
5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701059
3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844927
2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926665
N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 43670382

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The IUPAC name of N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (CID 104548430) is N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is CCCOCc1noc(-c2ccccc2CCNC)n1.
What is the InChIKey of N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The InChIKey is CPPCDIHZAPGZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-10-19-11-14-17-15(20-18-14)13-7-5-4-6-12(13)8-9-16-2/h4-7,16H,3,8-11H2,1-2H3.
What are the key properties of N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is sourced from PubChem (CID 104548430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).