oxadiazole

C4H4N4O2 — CID 21291540

IUPACoxadiazole
SMILESc1conn1.c1conn1
InChIInChI=1S/2C2H2N2O/c2*1-2-5-4-3-1/h2*1-2H
InChIKeyQRDGOCRZAXXYPV-UHFFFAOYSA-N
MW140.10 g/mol
LogP0.14
Rot. Bonds

About oxadiazole

oxadiazole (PubChem CID 21291540) has the molecular formula C4H4N4O2 and a molecular weight of 140.10 g/mol. Its IUPAC name is oxadiazole.

Molecular Properties

Compound Nameoxadiazole
PubChem CID21291540
Molecular FormulaC4H4N4O2
Molecular Weight140.10 g/mol
Exact Mass140.03
IUPAC Nameoxadiazole
SMILESc1conn1.c1conn1
InChIInChI=1S/2C2H2N2O/c2*1-2-5-4-3-1/h2*1-2H
InChIKeyQRDGOCRZAXXYPV-UHFFFAOYSA-N
XLogP0.14
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azane;oxadiazole
CID 67536775
iridium;oxadiazole
CID 175016020
molecular oxygen;oxadiazole
CID 175252421
oxadiazole;sulfuryl dichloride
CID 161463546
dihydroxy(dioxo)chromium;oxadiazole
CID 158932356
oxadiazole;phenazine
CID 174561801
2,3-dihydro-1H-pyrazole;oxadiazole
CID 70499190
oxadiazole;1-phenylethenylbenzene
CID 174510453
isoindole-1,3-dione;oxadiazole
CID 174725577
1,5-naphthyridine;oxadiazole;1,3-oxazole
CID 174524336
oxadiazole;1H-pyrazolo[5,4-c]pyridine
CID 159155810
chromen-4-one;oxadiazole
CID 175168262

Frequently Asked Questions

What is the IUPAC name of oxadiazole?
The IUPAC name of oxadiazole (CID 21291540) is oxadiazole.
What is the SMILES notation for oxadiazole?
The canonical SMILES for oxadiazole is c1conn1.c1conn1.
What is the InChIKey of oxadiazole?
The InChIKey is QRDGOCRZAXXYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H2N2O/c2*1-2-5-4-3-1/h2*1-2H.
What are the key properties of oxadiazole?
oxadiazole has a molecular weight of 140.10 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole is sourced from PubChem (CID 21291540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).