oxadiazole;1,3-oxazole;thiophene

C9H9N3O2S — CID 174444449

IUPACoxadiazole;1,3-oxazole;thiophene
SMILESc1ccsc1.c1cocn1.c1conn1
InChIInChI=1S/C4H4S.C3H3NO.C2H2N2O/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1/h1-4H;1-3H;1-2H
InChIKeyBAXNRTRFNFOVDX-UHFFFAOYSA-N
MW223.26 g/mol
LogP2.49
Rot. Bonds

About oxadiazole;1,3-oxazole;thiophene

oxadiazole;1,3-oxazole;thiophene (PubChem CID 174444449) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is oxadiazole;1,3-oxazole;thiophene.

Molecular Properties

Compound Nameoxadiazole;1,3-oxazole;thiophene
PubChem CID174444449
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Nameoxadiazole;1,3-oxazole;thiophene
SMILESc1ccsc1.c1cocn1.c1conn1
InChIInChI=1S/C4H4S.C3H3NO.C2H2N2O/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1/h1-4H;1-3H;1-2H
InChIKeyBAXNRTRFNFOVDX-UHFFFAOYSA-N
XLogP2.49
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxadiazole;1,3-oxazole;thiophene?
The IUPAC name of oxadiazole;1,3-oxazole;thiophene (CID 174444449) is oxadiazole;1,3-oxazole;thiophene.
What is the SMILES notation for oxadiazole;1,3-oxazole;thiophene?
The canonical SMILES for oxadiazole;1,3-oxazole;thiophene is c1ccsc1.c1cocn1.c1conn1.
What is the InChIKey of oxadiazole;1,3-oxazole;thiophene?
The InChIKey is BAXNRTRFNFOVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.C3H3NO.C2H2N2O/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1/h1-4H;1-3H;1-2H.
What are the key properties of oxadiazole;1,3-oxazole;thiophene?
oxadiazole;1,3-oxazole;thiophene has a molecular weight of 223.26 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;1,3-oxazole;thiophene is sourced from PubChem (CID 174444449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).