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

C16H23N3O2 — CID 60882283

IUPAC1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OCc1nc(C)no1
InChIInChI=1S/C16H23N3O2/c1-4-10-17-14(5-2)13-8-6-7-9-15(13)20-11-16-18-12(3)19-21-16/h6-9,14,17H,4-5,10-11H2,1-3H3
InChIKeyUFEPJGDGSZMIHE-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.41
Rot. Bonds8

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

1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine (PubChem CID 60882283) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine
PubChem CID60882283
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OCc1nc(C)no1
InChIInChI=1S/C16H23N3O2/c1-4-10-17-14(5-2)13-8-6-7-9-15(13)20-11-16-18-12(3)19-21-16/h6-9,14,17H,4-5,10-11H2,1-3H3
InChIKeyUFEPJGDGSZMIHE-UHFFFAOYSA-N
XLogP3.41
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 103901588
(1R)-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-ol
CID 55189160
1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 60882098
N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62393061
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
CID 60882662
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine
CID 61496143
5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 60718341
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine
CID 103901524
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine (CID 60882283) is 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1OCc1nc(C)no1.
What is the InChIKey of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine?
The InChIKey is UFEPJGDGSZMIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-10-17-14(5-2)13-8-6-7-9-15(13)20-11-16-18-12(3)19-21-16/h6-9,14,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine?
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 3.41, 8 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]-N-propylpropan-1-amine is sourced from PubChem (CID 60882283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).