2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde

C11H9NO3S — CID 82389491

IUPAC2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde
SMILESCc1coc(C(=O)c2cc(C=O)c(C)s2)n1
InChIInChI=1S/C11H9NO3S/c1-6-5-15-11(12-6)10(14)9-3-8(4-13)7(2)16-9/h3-5H,1-2H3
InChIKeyIFNKXXDIWANZAM-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.40
Rot. Bonds3

About 2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde

2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde (PubChem CID 82389491) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde
PubChem CID82389491
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde
SMILESCc1coc(C(=O)c2cc(C=O)c(C)s2)n1
InChIInChI=1S/C11H9NO3S/c1-6-5-15-11(12-6)10(14)9-3-8(4-13)7(2)16-9/h3-5H,1-2H3
InChIKeyIFNKXXDIWANZAM-UHFFFAOYSA-N
XLogP2.40
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde?
The IUPAC name of 2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde (CID 82389491) is 2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde.
What is the SMILES notation for 2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde?
The canonical SMILES for 2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde is Cc1coc(C(=O)c2cc(C=O)c(C)s2)n1.
What is the InChIKey of 2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde?
The InChIKey is IFNKXXDIWANZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-6-5-15-11(12-6)10(14)9-3-8(4-13)7(2)16-9/h3-5H,1-2H3.
What are the key properties of 2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde?
2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde has a molecular weight of 235.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde is sourced from PubChem (CID 82389491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).