N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

C14H19N3O2 — CID 63351995

IUPACN-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCNC(C)CCc1nc(COc2ccccc2)no1
InChIInChI=1S/C14H19N3O2/c1-11(15-2)8-9-14-16-13(17-19-14)10-18-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3
InChIKeyWVSQJYKDENNHGK-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.19
Rot. Bonds7

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

N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 63351995) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID63351995
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCNC(C)CCc1nc(COc2ccccc2)no1
InChIInChI=1S/C14H19N3O2/c1-11(15-2)8-9-14-16-13(17-19-14)10-18-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3
InChIKeyWVSQJYKDENNHGK-UHFFFAOYSA-N
XLogP2.19
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chloroethyl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 62717373
1-cyclopropyl-N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63352086
(2S)-4-methyl-2-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
CID 104916110
N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352522
4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845067
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 65093589
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63561258
N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride
CID 120867875
N-methyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350502
N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495515
4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol
CID 61495563
N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 61495423

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 63351995) is N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CNC(C)CCc1nc(COc2ccccc2)no1.
What is the InChIKey of N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is WVSQJYKDENNHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(15-2)8-9-14-16-13(17-19-14)10-18-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3.
What are the key properties of N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63351995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).