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

C13H16ClN3O2 — CID 60881077

IUPACN-[[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1nnc(C)o1
InChIInChI=1S/C13H16ClN3O2/c1-3-15-7-10-6-11(14)4-5-12(10)18-8-13-17-16-9(2)19-13/h4-6,15H,3,7-8H2,1-2H3
InChIKeyAKHCONWSSQOJCV-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.72
Rot. Bonds6

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

N-[[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 60881077) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-[[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID60881077
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-[[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1nnc(C)o1
InChIInChI=1S/C13H16ClN3O2/c1-3-15-7-10-6-11(14)4-5-12(10)18-8-13-17-16-9(2)19-13/h4-6,15H,3,7-8H2,1-2H3
InChIKeyAKHCONWSSQOJCV-UHFFFAOYSA-N
XLogP2.72
TPSA60.18 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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine (CID 60881077) is N-[[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1OCc1nnc(C)o1.
What is the InChIKey of N-[[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is AKHCONWSSQOJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-3-15-7-10-6-11(14)4-5-12(10)18-8-13-17-16-9(2)19-13/h4-6,15H,3,7-8H2,1-2H3.
What are the key properties of N-[[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
N-[[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 281.74 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 60881077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).