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

C15H18BrN3O2 — CID 61496044

IUPAC1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(Br)c1OCc1nc(C2CC2)no1
InChIInChI=1S/C15H18BrN3O2/c1-9(17)7-11-3-2-4-12(16)14(11)20-8-13-18-15(19-21-13)10-5-6-10/h2-4,9-10H,5-8,17H2,1H3
InChIKeyKINMFFKAYJJWOG-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.18
Rot. Bonds6

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

1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine (PubChem CID 61496044) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
PubChem CID61496044
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(Br)c1OCc1nc(C2CC2)no1
InChIInChI=1S/C15H18BrN3O2/c1-9(17)7-11-3-2-4-12(16)14(11)20-8-13-18-15(19-21-13)10-5-6-10/h2-4,9-10H,5-8,17H2,1H3
InChIKeyKINMFFKAYJJWOG-UHFFFAOYSA-N
XLogP3.18
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine (CID 61496044) is 1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine is CC(N)Cc1cccc(Br)c1OCc1nc(C2CC2)no1.
What is the InChIKey of 1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is KINMFFKAYJJWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-9(17)7-11-3-2-4-12(16)14(11)20-8-13-18-15(19-21-13)10-5-6-10/h2-4,9-10H,5-8,17H2,1H3.
What are the key properties of 1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 352.23 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 61496044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).