4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde

C8H11NO2 — CID 83815385

IUPAC4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde
SMILESCC(C)Cc1ncoc1C=O
InChIInChI=1S/C8H11NO2/c1-6(2)3-7-8(4-10)11-5-9-7/h4-6H,3H2,1-2H3
InChIKeyLKHPSCTUGQSAEB-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.69
Rot. Bonds3

About 4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde

4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde (PubChem CID 83815385) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde
PubChem CID83815385
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde
SMILESCC(C)Cc1ncoc1C=O
InChIInChI=1S/C8H11NO2/c1-6(2)3-7-8(4-10)11-5-9-7/h4-6H,3H2,1-2H3
InChIKeyLKHPSCTUGQSAEB-UHFFFAOYSA-N
XLogP1.69
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-1,3-oxazole-5-carbaldehyde
CID 83815109
5-(2-methylpropyl)-4-propyl-1,3-oxazole
CID 88974463
5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde
CID 83914847
5-(2-methylpropyl)pyrimidine-2-carbaldehyde
CID 163243316
4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde
CID 174258977
4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole
CID 169163494
2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79144831
4-cyclohexyl-1,3-oxazole-5-carbaldehyde
CID 83816829
4-(2-methylpropyl)pyridine-2-carbaldehyde
CID 130153005
[5-(3-methylbutyl)-1,3-oxazol-4-yl]methanol
CID 79145900
N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 114877624
4-(2-methylpropyl)furan-3-carbaldehyde
CID 82375522

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde (CID 83815385) is 4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde is CC(C)Cc1ncoc1C=O.
What is the InChIKey of 4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde?
The InChIKey is LKHPSCTUGQSAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6(2)3-7-8(4-10)11-5-9-7/h4-6H,3H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde?
4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde has a molecular weight of 153.18 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 83815385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).