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

C13H17N3O2 — CID 54930891

IUPAC1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCc1noc(COc2ccccc2CC(C)N)n1
InChIInChI=1S/C13H17N3O2/c1-9(14)7-11-5-3-4-6-12(11)17-8-13-15-10(2)16-18-13/h3-6,9H,7-8,14H2,1-2H3
InChIKeySGZMRWULSFWBAU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.85
Rot. Bonds5

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

1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine (PubChem CID 54930891) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
PubChem CID54930891
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCc1noc(COc2ccccc2CC(C)N)n1
InChIInChI=1S/C13H17N3O2/c1-9(14)7-11-5-3-4-6-12(11)17-8-13-15-10(2)16-18-13/h3-6,9H,7-8,14H2,1-2H3
InChIKeySGZMRWULSFWBAU-UHFFFAOYSA-N
XLogP1.85
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 107701061
1-[3-ethoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60906821
1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61269478
5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 60718341
4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 60879201
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326409
(1R)-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-ol
CID 55189160
1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
CID 54930668
5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 134038171
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 10358694
5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
CID 54077737
5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60721266

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine (CID 54930891) is 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine is Cc1noc(COc2ccccc2CC(C)N)n1.
What is the InChIKey of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is SGZMRWULSFWBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(14)7-11-5-3-4-6-12(11)17-8-13-15-10(2)16-18-13/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 54930891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).