oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole

C10H10N6O3S — CID 174383131

IUPACoxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole
SMILESc1cnoc1.c1cocn1.c1conn1.c1csnn1
InChIInChI=1S/2C3H3NO.C2H2N2O.C2H2N2S/c1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-4-3-1/h2*1-3H;2*1-2H
InChIKeyMNVBVXJCIDPYGQ-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.96
Rot. Bonds

About oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole

oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole (PubChem CID 174383131) has the molecular formula C10H10N6O3S and a molecular weight of 294.30 g/mol. Its IUPAC name is oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole.

Molecular Properties

Compound Nameoxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole
PubChem CID174383131
Molecular FormulaC10H10N6O3S
Molecular Weight294.30 g/mol
Exact Mass294.05
IUPAC Nameoxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole
SMILESc1cnoc1.c1cocn1.c1conn1.c1csnn1
InChIInChI=1S/2C3H3NO.C2H2N2O.C2H2N2S/c1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-4-3-1/h2*1-3H;2*1-2H
InChIKeyMNVBVXJCIDPYGQ-UHFFFAOYSA-N
XLogP1.96
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole?
The IUPAC name of oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole (CID 174383131) is oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole.
What is the SMILES notation for oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole?
The canonical SMILES for oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole is c1cnoc1.c1cocn1.c1conn1.c1csnn1.
What is the InChIKey of oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole?
The InChIKey is MNVBVXJCIDPYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO.C2H2N2O.C2H2N2S/c1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-4-3-1/h2*1-3H;2*1-2H.
What are the key properties of oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole?
oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole has a molecular weight of 294.30 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole is sourced from PubChem (CID 174383131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).