5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde

C8H11NO2 — CID 105429873

IUPAC5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde
SMILESCc1oc(C=O)nc1C(C)C
InChIInChI=1S/C8H11NO2/c1-5(2)8-6(3)11-7(4-10)9-8/h4-5H,1-3H3
InChIKeyGIMWWNXKQBZKHG-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.92
Rot. Bonds2

About 5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde

5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde (PubChem CID 105429873) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde
PubChem CID105429873
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde
SMILESCc1oc(C=O)nc1C(C)C
InChIInChI=1S/C8H11NO2/c1-5(2)8-6(3)11-7(4-10)9-8/h4-5H,1-3H3
InChIKeyGIMWWNXKQBZKHG-UHFFFAOYSA-N
XLogP1.92
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.92
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 5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde?
The IUPAC name of 5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde (CID 105429873) is 5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde?
The canonical SMILES for 5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde is Cc1oc(C=O)nc1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde?
The InChIKey is GIMWWNXKQBZKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5(2)8-6(3)11-7(4-10)9-8/h4-5H,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde?
5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde has a molecular weight of 153.18 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde is sourced from PubChem (CID 105429873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).