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

C13H16ClN3O2 — CID 61495157

IUPAC[5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
SMILESCCCc1nc(COc2ccc(Cl)cc2CN)no1
InChIInChI=1S/C13H16ClN3O2/c1-2-3-13-16-12(17-19-13)8-18-11-5-4-10(14)6-9(11)7-15/h4-6H,2-3,7-8,15H2,1H3
InChIKeyOIZXBFKUFOGRJG-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.71
Rot. Bonds6

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

[5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 61495157) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is [5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
PubChem CID61495157
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name[5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
SMILESCCCc1nc(COc2ccc(Cl)cc2CN)no1
InChIInChI=1S/C13H16ClN3O2/c1-2-3-13-16-12(17-19-13)8-18-11-5-4-10(14)6-9(11)7-15/h4-6H,2-3,7-8,15H2,1H3
InChIKeyOIZXBFKUFOGRJG-UHFFFAOYSA-N
XLogP2.71
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine (CID 61495157) is [5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine is CCCc1nc(COc2ccc(Cl)cc2CN)no1.
What is the InChIKey of [5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is OIZXBFKUFOGRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-2-3-13-16-12(17-19-13)8-18-11-5-4-10(14)6-9(11)7-15/h4-6H,2-3,7-8,15H2,1H3.
What are the key properties of [5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
[5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 281.74 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 61495157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).