N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine

C14H18ClN3O2 — CID 42356995

IUPACN-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C14H18ClN3O2/c1-18(7-8-19-2)10-14-16-13(17-20-14)9-11-5-3-4-6-12(11)15/h3-6H,7-10H2,1-2H3
InChIKeyHJVWJCUKYKLGBK-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.39
Rot. Bonds7

About N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine

N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine (PubChem CID 42356995) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine
PubChem CID42356995
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C14H18ClN3O2/c1-18(7-8-19-2)10-14-16-13(17-20-14)9-11-5-3-4-6-12(11)15/h3-6H,7-10H2,1-2H3
InChIKeyHJVWJCUKYKLGBK-UHFFFAOYSA-N
XLogP2.39
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine (CID 42356995) is N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine is COCCN(C)Cc1nc(Cc2ccccc2Cl)no1.
What is the InChIKey of N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine?
The InChIKey is HJVWJCUKYKLGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-18(7-8-19-2)10-14-16-13(17-20-14)9-11-5-3-4-6-12(11)15/h3-6H,7-10H2,1-2H3.
What are the key properties of N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine?
N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine has a molecular weight of 295.77 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 42356995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).