3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine

C8H9N3O2 — CID 175143532

IUPAC3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(Cc2ccco2)no1
InChIInChI=1S/C8H9N3O2/c1-9-8-10-7(11-13-8)5-6-3-2-4-12-6/h2-4H,5H2,1H3,(H,9,10,11)
InChIKeyNKWXOELDOPWCCN-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.30
Rot. Bonds3

About 3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine

3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 175143532) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine
PubChem CID175143532
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(Cc2ccco2)no1
InChIInChI=1S/C8H9N3O2/c1-9-8-10-7(11-13-8)5-6-3-2-4-12-6/h2-4H,5H2,1H3,(H,9,10,11)
InChIKeyNKWXOELDOPWCCN-UHFFFAOYSA-N
XLogP1.30
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine (CID 175143532) is 3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine is CNc1nc(Cc2ccco2)no1.
What is the InChIKey of 3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is NKWXOELDOPWCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-9-8-10-7(11-13-8)5-6-3-2-4-12-6/h2-4H,5H2,1H3,(H,9,10,11).
What are the key properties of 3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine?
3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 179.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-N-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 175143532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).