1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

C16H15N3O4 — CID 51076559

IUPAC1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1ccc2c(c1)OCO2)Cc1nc(-c2ccco2)no1
InChIInChI=1S/C16H15N3O4/c1-19(8-11-4-5-12-14(7-11)22-10-21-12)9-15-17-16(18-23-15)13-3-2-6-20-13/h2-7H,8-10H2,1H3
InChIKeyDAAJPLYGZYUDNI-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.69
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (PubChem CID 51076559) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
PubChem CID51076559
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1ccc2c(c1)OCO2)Cc1nc(-c2ccco2)no1
InChIInChI=1S/C16H15N3O4/c1-19(8-11-4-5-12-14(7-11)22-10-21-12)9-15-17-16(18-23-15)13-3-2-6-20-13/h2-7H,8-10H2,1H3
InChIKeyDAAJPLYGZYUDNI-UHFFFAOYSA-N
XLogP2.69
TPSA73.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (CID 51076559) is 1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is CN(Cc1ccc2c(c1)OCO2)Cc1nc(-c2ccco2)no1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The InChIKey is DAAJPLYGZYUDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-19(8-11-4-5-12-14(7-11)22-10-21-12)9-15-17-16(18-23-15)13-3-2-6-20-13/h2-7H,8-10H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine has a molecular weight of 313.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 51076559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).