5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine

C7H8N4O — CID 82467931

IUPAC5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCn1ccc(-c2nnc(N)o2)c1
InChIInChI=1S/C7H8N4O/c1-11-3-2-5(4-11)6-9-10-7(8)12-6/h2-4H,1H3,(H2,8,10)
InChIKeyNXXRLZAXQRCYSH-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.66
Rot. Bonds1

About 5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine

5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 82467931) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID82467931
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCn1ccc(-c2nnc(N)o2)c1
InChIInChI=1S/C7H8N4O/c1-11-3-2-5(4-11)6-9-10-7(8)12-6/h2-4H,1H3,(H2,8,10)
InChIKeyNXXRLZAXQRCYSH-UHFFFAOYSA-N
XLogP0.66
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine (CID 82467931) is 5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine is Cn1ccc(-c2nnc(N)o2)c1.
What is the InChIKey of 5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NXXRLZAXQRCYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-11-3-2-5(4-11)6-9-10-7(8)12-6/h2-4H,1H3,(H2,8,10).
What are the key properties of 5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine?
5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 164.17 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrol-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 82467931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).