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

C13H17N3O2 — CID 60878650

IUPAC1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OCc1nnc(C)o1
InChIInChI=1S/C13H17N3O2/c1-3-11(14)10-6-4-5-7-12(10)17-8-13-16-15-9(2)18-13/h4-7,11H,3,8,14H2,1-2H3
InChIKeyRECXZDVWUUUAHL-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.37
Rot. Bonds5

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

1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine (PubChem CID 60878650) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
PubChem CID60878650
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OCc1nnc(C)o1
InChIInChI=1S/C13H17N3O2/c1-3-11(14)10-6-4-5-7-12(10)17-8-13-16-15-9(2)18-13/h4-7,11H,3,8,14H2,1-2H3
InChIKeyRECXZDVWUUUAHL-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78936718
N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
CID 60882662
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78936260
(1S)-1-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-amine
CID 78933043
(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
CID 55190081
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 61494511
2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
CID 30076593
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960
(1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 103959551
1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine
CID 63501481
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine (CID 60878650) is 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine is CCC(N)c1ccccc1OCc1nnc(C)o1.
What is the InChIKey of 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is RECXZDVWUUUAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-11(14)10-6-4-5-7-12(10)17-8-13-16-15-9(2)18-13/h4-7,11H,3,8,14H2,1-2H3.
What are the key properties of 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine?
1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 60878650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).