2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine

C10H14N4O — CID 136984506

IUPAC2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(C)(N)c1nc(-c2ccc[nH]2)no1
InChIInChI=1S/C10H14N4O/c1-3-10(2,11)9-13-8(14-15-9)7-5-4-6-12-7/h4-6,12H,3,11H2,1-2H3
InChIKeyAFKBIDUFSXETSB-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.65
Rot. Bonds3

About 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine

2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 136984506) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID136984506
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(C)(N)c1nc(-c2ccc[nH]2)no1
InChIInChI=1S/C10H14N4O/c1-3-10(2,11)9-13-8(14-15-9)7-5-4-6-12-7/h4-6,12H,3,11H2,1-2H3
InChIKeyAFKBIDUFSXETSB-UHFFFAOYSA-N
XLogP1.65
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 136984506) is 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCC(C)(N)c1nc(-c2ccc[nH]2)no1.
What is the InChIKey of 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is AFKBIDUFSXETSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-10(2,11)9-13-8(14-15-9)7-5-4-6-12-7/h4-6,12H,3,11H2,1-2H3.
What are the key properties of 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 206.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 136984506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).