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

C16H23N3O2 — CID 60888596

IUPAC1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OCc2nnc(C)o2)cc1
InChIInChI=1S/C16H23N3O2/c1-4-10-17-15(5-2)13-6-8-14(9-7-13)20-11-16-19-18-12(3)21-16/h6-9,15,17H,4-5,10-11H2,1-3H3
InChIKeyJNEUHWUKOHTCNO-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.41
Rot. Bonds8

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

1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine (PubChem CID 60888596) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine
PubChem CID60888596
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OCc2nnc(C)o2)cc1
InChIInChI=1S/C16H23N3O2/c1-4-10-17-15(5-2)13-6-8-14(9-7-13)20-11-16-19-18-12(3)21-16/h6-9,15,17H,4-5,10-11H2,1-3H3
InChIKeyJNEUHWUKOHTCNO-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

2-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 60627683
N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60887619
2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 110655535
1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 107041224
1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171
N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
CID 60882662
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857114
1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine
CID 60887233
3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol
CID 82850496
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethylpropan-1-amine
CID 60888210
1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine
CID 60915678
N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
CID 63774718

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine (CID 60888596) is 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(OCc2nnc(C)o2)cc1.
What is the InChIKey of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine?
The InChIKey is JNEUHWUKOHTCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-10-17-15(5-2)13-6-8-14(9-7-13)20-11-16-19-18-12(3)21-16/h6-9,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine?
1-[4-[(5-methyl-1,3,4-oxadiazol-2-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-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 60888596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).