5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde

C10H11NO2S — CID 13413505

IUPAC5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde
SMILESCC1(C)COC(c2ccc(C=O)s2)=N1
InChIInChI=1S/C10H11NO2S/c1-10(2)6-13-9(11-10)8-4-3-7(5-12)14-8/h3-5H,6H2,1-2H3
InChIKeyRIOUSHYZFYSXDF-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.12
Rot. Bonds2

About 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde

5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde (PubChem CID 13413505) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde
PubChem CID13413505
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde
SMILESCC1(C)COC(c2ccc(C=O)s2)=N1
InChIInChI=1S/C10H11NO2S/c1-10(2)6-13-9(11-10)8-4-3-7(5-12)14-8/h3-5H,6H2,1-2H3
InChIKeyRIOUSHYZFYSXDF-UHFFFAOYSA-N
XLogP2.12
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.12
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 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde (CID 13413505) is 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde is CC1(C)COC(c2ccc(C=O)s2)=N1.
What is the InChIKey of 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde?
The InChIKey is RIOUSHYZFYSXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-10(2)6-13-9(11-10)8-4-3-7(5-12)14-8/h3-5H,6H2,1-2H3.
What are the key properties of 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde?
5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde has a molecular weight of 209.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 13413505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).