1,3-oxazole-2-carbaldehyde;thiophene

C8H7NO2S — CID 174881846

IUPAC1,3-oxazole-2-carbaldehyde;thiophene
SMILESO=Cc1ncco1.c1ccsc1
InChIInChI=1S/C4H3NO2.C4H4S/c6-3-4-5-1-2-7-4;1-2-4-5-3-1/h1-3H;1-4H
InChIKeyKFHDGEODZKGXDJ-UHFFFAOYSA-N
MW181.22 g/mol
LogP2.24
Rot. Bonds1

About 1,3-oxazole-2-carbaldehyde;thiophene

1,3-oxazole-2-carbaldehyde;thiophene (PubChem CID 174881846) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 1,3-oxazole-2-carbaldehyde;thiophene.

Molecular Properties

Compound Name1,3-oxazole-2-carbaldehyde;thiophene
PubChem CID174881846
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name1,3-oxazole-2-carbaldehyde;thiophene
SMILESO=Cc1ncco1.c1ccsc1
InChIInChI=1S/C4H3NO2.C4H4S/c6-3-4-5-1-2-7-4;1-2-4-5-3-1/h1-3H;1-4H
InChIKeyKFHDGEODZKGXDJ-UHFFFAOYSA-N
XLogP2.24
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole-2-carbaldehyde;thiophene?
The IUPAC name of 1,3-oxazole-2-carbaldehyde;thiophene (CID 174881846) is 1,3-oxazole-2-carbaldehyde;thiophene.
What is the SMILES notation for 1,3-oxazole-2-carbaldehyde;thiophene?
The canonical SMILES for 1,3-oxazole-2-carbaldehyde;thiophene is O=Cc1ncco1.c1ccsc1.
What is the InChIKey of 1,3-oxazole-2-carbaldehyde;thiophene?
The InChIKey is KFHDGEODZKGXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.C4H4S/c6-3-4-5-1-2-7-4;1-2-4-5-3-1/h1-3H;1-4H.
What are the key properties of 1,3-oxazole-2-carbaldehyde;thiophene?
1,3-oxazole-2-carbaldehyde;thiophene has a molecular weight of 181.22 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole-2-carbaldehyde;thiophene is sourced from PubChem (CID 174881846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).