2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole

C7H7N3O — CID 131153650

IUPAC2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole
SMILESCn1cccc1-c1nnco1
InChIInChI=1S/C7H7N3O/c1-10-4-2-3-6(10)7-9-8-5-11-7/h2-5H,1H3
InChIKeyRRSUDYCDYWDGRO-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.08
Rot. Bonds1

About 2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole

2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole (PubChem CID 131153650) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole
PubChem CID131153650
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole
SMILESCn1cccc1-c1nnco1
InChIInChI=1S/C7H7N3O/c1-10-4-2-3-6(10)7-9-8-5-11-7/h2-5H,1H3
InChIKeyRRSUDYCDYWDGRO-UHFFFAOYSA-N
XLogP1.08
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole (CID 131153650) is 2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole is Cn1cccc1-c1nnco1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole?
The InChIKey is RRSUDYCDYWDGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-10-4-2-3-6(10)7-9-8-5-11-7/h2-5H,1H3.
What are the key properties of 2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole?
2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole has a molecular weight of 149.15 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 131153650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).