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

C15H19N3O2 — CID 61495662

IUPAC1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2noc(C3CC3)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-10(16)8-11-2-6-13(7-3-11)19-9-14-17-15(20-18-14)12-4-5-12/h2-3,6-7,10,12H,4-5,8-9,16H2,1H3
InChIKeyLNHFJELRYOOSGS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.42
Rot. Bonds6

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

1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine (PubChem CID 61495662) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
PubChem CID61495662
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2noc(C3CC3)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-10(16)8-11-2-6-13(7-3-11)19-9-14-17-15(20-18-14)12-4-5-12/h2-3,6-7,10,12H,4-5,8-9,16H2,1H3
InChIKeyLNHFJELRYOOSGS-UHFFFAOYSA-N
XLogP2.42
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine (CID 61495662) is 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine is CC(N)Cc1ccc(OCc2noc(C3CC3)n2)cc1.
What is the InChIKey of 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is LNHFJELRYOOSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(16)8-11-2-6-13(7-3-11)19-9-14-17-15(20-18-14)12-4-5-12/h2-3,6-7,10,12H,4-5,8-9,16H2,1H3.
What are the key properties of 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 61495662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).