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

C11H12ClN3O2 — CID 60879445

IUPAC[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
SMILESCc1nnc(COc2ccc(Cl)cc2CN)o1
InChIInChI=1S/C11H12ClN3O2/c1-7-14-15-11(17-7)6-16-10-3-2-9(12)4-8(10)5-13/h2-4H,5-6,13H2,1H3
InChIKeyDAKATLOBJYIQOP-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.07
Rot. Bonds4

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

[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine (PubChem CID 60879445) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is [5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
PubChem CID60879445
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
SMILESCc1nnc(COc2ccc(Cl)cc2CN)o1
InChIInChI=1S/C11H12ClN3O2/c1-7-14-15-11(17-7)6-16-10-3-2-9(12)4-8(10)5-13/h2-4H,5-6,13H2,1H3
InChIKeyDAKATLOBJYIQOP-UHFFFAOYSA-N
XLogP2.07
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.07
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-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of [5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine (CID 60879445) is [5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine is Cc1nnc(COc2ccc(Cl)cc2CN)o1.
What is the InChIKey of [5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine?
The InChIKey is DAKATLOBJYIQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-7-14-15-11(17-7)6-16-10-3-2-9(12)4-8(10)5-13/h2-4H,5-6,13H2,1H3.
What are the key properties of [5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine?
[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine has a molecular weight of 253.69 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60879445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).