2-pentyl-1,3,4-oxadiazole

C7H12N2O — CID 17244515

IUPAC2-pentyl-1,3,4-oxadiazole
SMILESCCCCCc1nnco1
InChIInChI=1S/C7H12N2O/c1-2-3-4-5-7-9-8-6-10-7/h6H,2-5H2,1H3
InChIKeyPPTUUJXJQKLQJL-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.80
Rot. Bonds4

About 2-pentyl-1,3,4-oxadiazole

2-pentyl-1,3,4-oxadiazole (PubChem CID 17244515) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-pentyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pentyl-1,3,4-oxadiazole
PubChem CID17244515
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-pentyl-1,3,4-oxadiazole
SMILESCCCCCc1nnco1
InChIInChI=1S/C7H12N2O/c1-2-3-4-5-7-9-8-6-10-7/h6H,2-5H2,1H3
InChIKeyPPTUUJXJQKLQJL-UHFFFAOYSA-N
XLogP1.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1,3,4-oxadiazole?
The IUPAC name of 2-pentyl-1,3,4-oxadiazole (CID 17244515) is 2-pentyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-pentyl-1,3,4-oxadiazole?
The canonical SMILES for 2-pentyl-1,3,4-oxadiazole is CCCCCc1nnco1.
What is the InChIKey of 2-pentyl-1,3,4-oxadiazole?
The InChIKey is PPTUUJXJQKLQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-3-4-5-7-9-8-6-10-7/h6H,2-5H2,1H3.
What are the key properties of 2-pentyl-1,3,4-oxadiazole?
2-pentyl-1,3,4-oxadiazole has a molecular weight of 140.19 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,3,4-oxadiazole is sourced from PubChem (CID 17244515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).