2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde

C5H4ClNO2 — CID 84649068

IUPAC2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde
SMILESCc1oc(Cl)nc1C=O
InChIInChI=1S/C5H4ClNO2/c1-3-4(2-8)7-5(6)9-3/h2H,1H3
InChIKeyMHLCDMQVXIQOQT-UHFFFAOYSA-N
MW145.55 g/mol
LogP1.45
Rot. Bonds1

About 2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde

2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde (PubChem CID 84649068) has the molecular formula C5H4ClNO2 and a molecular weight of 145.55 g/mol. Its IUPAC name is 2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde
PubChem CID84649068
Molecular FormulaC5H4ClNO2
Molecular Weight145.55 g/mol
Exact Mass144.99
IUPAC Name2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde
SMILESCc1oc(Cl)nc1C=O
InChIInChI=1S/C5H4ClNO2/c1-3-4(2-8)7-5(6)9-3/h2H,1H3
InChIKeyMHLCDMQVXIQOQT-UHFFFAOYSA-N
XLogP1.45
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.55
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-5-methyl-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde (CID 84649068) is 2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde is Cc1oc(Cl)nc1C=O.
What is the InChIKey of 2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde?
The InChIKey is MHLCDMQVXIQOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2/c1-3-4(2-8)7-5(6)9-3/h2H,1H3.
What are the key properties of 2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde?
2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde has a molecular weight of 145.55 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 84649068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).