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

C15H21N3O2 — CID 60887619

IUPACN-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(OCc2nnc(C)o2)c1
InChIInChI=1S/C15H21N3O2/c1-4-8-16-11(2)13-6-5-7-14(9-13)19-10-15-18-17-12(3)20-15/h5-7,9,11,16H,4,8,10H2,1-3H3
InChIKeyZYAXZHHZYNNSIE-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.02
Rot. Bonds7

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

N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine (PubChem CID 60887619) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
PubChem CID60887619
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(OCc2nnc(C)o2)c1
InChIInChI=1S/C15H21N3O2/c1-4-8-16-11(2)13-6-5-7-14(9-13)19-10-15-18-17-12(3)20-15/h5-7,9,11,16H,4,8,10H2,1-3H3
InChIKeyZYAXZHHZYNNSIE-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 60888596
N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62229836
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine
CID 43280026
(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78937299
N-[1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60888002
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
N-ethyl-1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 60887616
2-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 60627683
2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 114491732
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857114
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine (CID 60887619) is N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(OCc2nnc(C)o2)c1.
What is the InChIKey of N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine?
The InChIKey is ZYAXZHHZYNNSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-8-16-11(2)13-6-5-7-14(9-13)19-10-15-18-17-12(3)20-15/h5-7,9,11,16H,4,8,10H2,1-3H3.
What are the key properties of N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine?
N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 60887619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).