1,3-oxazole;thiophene

C11H11NOS2 — CID 67804347

IUPAC1,3-oxazole;thiophene
SMILESc1ccsc1.c1ccsc1.c1cocn1
InChIInChI=1S/2C4H4S.C3H3NO/c2*1-2-4-5-3-1;1-2-5-3-4-1/h2*1-4H;1-3H
InChIKeyQOZXIZSDKTUXOV-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.17
Rot. Bonds

About 1,3-oxazole;thiophene

1,3-oxazole;thiophene (PubChem CID 67804347) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1,3-oxazole;thiophene.

Molecular Properties

Compound Name1,3-oxazole;thiophene
PubChem CID67804347
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name1,3-oxazole;thiophene
SMILESc1ccsc1.c1ccsc1.c1cocn1
InChIInChI=1S/2C4H4S.C3H3NO/c2*1-2-4-5-3-1;1-2-5-3-4-1/h2*1-4H;1-3H
InChIKeyQOZXIZSDKTUXOV-UHFFFAOYSA-N
XLogP4.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole;thiophene?
The IUPAC name of 1,3-oxazole;thiophene (CID 67804347) is 1,3-oxazole;thiophene.
What is the SMILES notation for 1,3-oxazole;thiophene?
The canonical SMILES for 1,3-oxazole;thiophene is c1ccsc1.c1ccsc1.c1cocn1.
What is the InChIKey of 1,3-oxazole;thiophene?
The InChIKey is QOZXIZSDKTUXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4S.C3H3NO/c2*1-2-4-5-3-1;1-2-5-3-4-1/h2*1-4H;1-3H.
What are the key properties of 1,3-oxazole;thiophene?
1,3-oxazole;thiophene has a molecular weight of 237.35 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;thiophene is sourced from PubChem (CID 67804347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).