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

C13H15N3O2 — CID 54959648

IUPAC[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
SMILESNCc1ccccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C13H15N3O2/c14-7-10-3-1-2-4-11(10)17-8-12-15-13(16-18-12)9-5-6-9/h1-4,9H,5-8,14H2
InChIKeyYUAHXAAJGLOVDB-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.98
Rot. Bonds5

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

[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine (PubChem CID 54959648) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
PubChem CID54959648
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
SMILESNCc1ccccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C13H15N3O2/c14-7-10-3-1-2-4-11(10)17-8-12-15-13(16-18-12)9-5-6-9/h1-4,9H,5-8,14H2
InChIKeyYUAHXAAJGLOVDB-UHFFFAOYSA-N
XLogP1.98
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.98
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-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 114321572
[3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 63044787
[2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 81317921
[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 114320504
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 61380152
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine
CID 61496143
O-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]hydroxylamine
CID 79427579
1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61496044
[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine
CID 61495791
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 62536508

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The IUPAC name of [2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine (CID 54959648) is [2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine is NCc1ccccc1OCc1nc(C2CC2)no1.
What is the InChIKey of [2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The InChIKey is YUAHXAAJGLOVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-7-10-3-1-2-4-11(10)17-8-12-15-13(16-18-12)9-5-6-9/h1-4,9H,5-8,14H2.
What are the key properties of [2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine has a molecular weight of 245.28 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 54959648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).