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

C16H21N3O2 — CID 61496143

IUPAC1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C16H21N3O2/c1-3-13(17-2)12-6-4-5-7-14(12)20-10-15-18-16(19-21-15)11-8-9-11/h4-7,11,13,17H,3,8-10H2,1-2H3
InChIKeyVFPXATJUWBQDNN-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.20
Rot. Bonds7

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

1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine (PubChem CID 61496143) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine
PubChem CID61496143
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C16H21N3O2/c1-3-13(17-2)12-6-4-5-7-14(12)20-10-15-18-16(19-21-15)11-8-9-11/h4-7,11,13,17H,3,8-10H2,1-2H3
InChIKeyVFPXATJUWBQDNN-UHFFFAOYSA-N
XLogP3.20
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 61496080
(1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78931160
[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 54959648
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 60882283
1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 114318867
(1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78931347
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63064418
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanol
CID 63067508
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 51078362
[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 114320504
5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443640
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 61380152

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine (CID 61496143) is 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1OCc1nc(C2CC2)no1.
What is the InChIKey of 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine?
The InChIKey is VFPXATJUWBQDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-13(17-2)12-6-4-5-7-14(12)20-10-15-18-16(19-21-15)11-8-9-11/h4-7,11,13,17H,3,8-10H2,1-2H3.
What are the key properties of 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine?
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 61496143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).