N-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

C19H19N5O4 — CID 11451846

IUPACN-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESc1cnc(NCC2CCCO2)c(-c2nnc(Nc3ccc4c(c3)OCO4)o2)c1
InChIInChI=1S/C19H19N5O4/c1-4-14(17(20-7-1)21-10-13-3-2-8-25-13)18-23-24-19(28-18)22-12-5-6-15-16(9-12)27-11-26-15/h1,4-7,9,13H,2-3,8,10-11H2,(H,20,21)(H,22,24)
InChIKeyQFGIYKJHRAVEQI-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.19
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

N-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 11451846) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID11451846
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESc1cnc(NCC2CCCO2)c(-c2nnc(Nc3ccc4c(c3)OCO4)o2)c1
InChIInChI=1S/C19H19N5O4/c1-4-14(17(20-7-1)21-10-13-3-2-8-25-13)18-23-24-19(28-18)22-12-5-6-15-16(9-12)27-11-26-15/h1,4-7,9,13H,2-3,8,10-11H2,(H,20,21)(H,22,24)
InChIKeyQFGIYKJHRAVEQI-UHFFFAOYSA-N
XLogP3.19
TPSA103.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 11451846) is N-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is c1cnc(NCC2CCCO2)c(-c2nnc(Nc3ccc4c(c3)OCO4)o2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QFGIYKJHRAVEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-4-14(17(20-7-1)21-10-13-3-2-8-25-13)18-23-24-19(28-18)22-12-5-6-15-16(9-12)27-11-26-15/h1,4-7,9,13H,2-3,8,10-11H2,(H,20,21)(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
N-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 381.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 11451846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).