1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine

C15H21N3O2 — CID 63350699

IUPAC1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(COC)Cc1nc(Cc2ccccc2C)no1
InChIInChI=1S/C15H21N3O2/c1-11-6-4-5-7-12(11)8-14-17-15(20-18-14)9-13(16-2)10-19-3/h4-7,13,16H,8-10H2,1-3H3
InChIKeyXNRSFKAGURAQLD-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.75
Rot. Bonds7

About 1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine

1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 63350699) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID63350699
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(COC)Cc1nc(Cc2ccccc2C)no1
InChIInChI=1S/C15H21N3O2/c1-11-6-4-5-7-12(11)8-14-17-15(20-18-14)9-13(16-2)10-19-3/h4-7,13,16H,8-10H2,1-3H3
InChIKeyXNRSFKAGURAQLD-UHFFFAOYSA-N
XLogP1.75
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347758
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349292
1-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 63352437
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63347822
3,3-dimethyl-1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349339
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3-methoxypropan-2-amine
CID 63347485
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 63349681
methyl (2R)-2-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoate
CID 96563554
1-methoxy-N-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347046
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344884
3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524317
1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 63351233

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 63350699) is 1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine is CNC(COC)Cc1nc(Cc2ccccc2C)no1.
What is the InChIKey of 1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is XNRSFKAGURAQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-6-4-5-7-12(11)8-14-17-15(20-18-14)9-13(16-2)10-19-3/h4-7,13,16H,8-10H2,1-3H3.
What are the key properties of 1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 275.35 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 63350699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).