1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

C10H9N5O2 — CID 55103645

IUPAC1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(-c3ccco3)no2)c1
InChIInChI=1S/C10H9N5O2/c11-7-4-12-15(5-7)6-9-13-10(14-17-9)8-2-1-3-16-8/h1-5H,6,11H2
InChIKeyXQIDCMLQSPCTRH-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.16
Rot. Bonds3

About 1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (PubChem CID 55103645) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
PubChem CID55103645
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Name1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(-c3ccco3)no2)c1
InChIInChI=1S/C10H9N5O2/c11-7-4-12-15(5-7)6-9-13-10(14-17-9)8-2-1-3-16-8/h1-5H,6,11H2
InChIKeyXQIDCMLQSPCTRH-UHFFFAOYSA-N
XLogP1.16
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (CID 55103645) is 1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is Nc1cnn(Cc2nc(-c3ccco3)no2)c1.
What is the InChIKey of 1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The InChIKey is XQIDCMLQSPCTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c11-7-4-12-15(5-7)6-9-13-10(14-17-9)8-2-1-3-16-8/h1-5H,6,11H2.
What are the key properties of 1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine has a molecular weight of 231.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 55103645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).