N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

C19H18ClN3O3 — CID 55446205

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCN(Cc1ccc2c(c1)OCO2)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H18ClN3O3/c1-2-23(10-13-7-8-16-17(9-13)25-12-24-16)11-18-21-22-19(26-18)14-5-3-4-6-15(14)20/h3-9H,2,10-12H2,1H3
InChIKeyFFEQWLPAJRICKB-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.14
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 55446205) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID55446205
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCN(Cc1ccc2c(c1)OCO2)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H18ClN3O3/c1-2-23(10-13-7-8-16-17(9-13)25-12-24-16)11-18-21-22-19(26-18)14-5-3-4-6-15(14)20/h3-9H,2,10-12H2,1H3
InChIKeyFFEQWLPAJRICKB-UHFFFAOYSA-N
XLogP4.14
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 55625618
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 78825331
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine
CID 78826611
2-(2-chlorophenyl)-5-(1,2,4-triazol-4-ylmethyl)-1,3,4-oxadiazole
CID 45029366
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethyl]isoindole-1,3-dione
CID 18144813
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylaniline
CID 45106047
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-ethylpyrrolidin-3-amine
CID 63300120
N-[(3-bromophenyl)methyl]-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 34553052
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 8890866
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 16563213
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylbenzenesulfonamide
CID 30173939

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 55446205) is N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCN(Cc1ccc2c(c1)OCO2)Cc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is FFEQWLPAJRICKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-2-23(10-13-7-8-16-17(9-13)25-12-24-16)11-18-21-22-19(26-18)14-5-3-4-6-15(14)20/h3-9H,2,10-12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 371.82 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 55446205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).