3-butoxy-1,2-oxazole-5-carbaldehyde

C8H11NO3 — CID 87310525

IUPAC3-butoxy-1,2-oxazole-5-carbaldehyde
SMILESCCCCOc1cc(C=O)on1
InChIInChI=1S/C8H11NO3/c1-2-3-4-11-8-5-7(6-10)12-9-8/h5-6H,2-4H2,1H3
InChIKeyBQVHKNXMMTUZCC-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.67
Rot. Bonds5

About 3-butoxy-1,2-oxazole-5-carbaldehyde

3-butoxy-1,2-oxazole-5-carbaldehyde (PubChem CID 87310525) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-butoxy-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name3-butoxy-1,2-oxazole-5-carbaldehyde
PubChem CID87310525
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-butoxy-1,2-oxazole-5-carbaldehyde
SMILESCCCCOc1cc(C=O)on1
InChIInChI=1S/C8H11NO3/c1-2-3-4-11-8-5-7(6-10)12-9-8/h5-6H,2-4H2,1H3
InChIKeyBQVHKNXMMTUZCC-UHFFFAOYSA-N
XLogP1.67
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-butoxy-1,2-oxazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-decyl-1,2-oxazole-5-carbaldehyde
CID 18372911
4,5-di(tridecoxy)furan-2-carbaldehyde
CID 177254430
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]oxy]propanal
CID 57146067
5-butoxypyridine-3-carbaldehyde
CID 89111461
3-butoxypyridine-2-carbaldehyde
CID 86631140
2-(2-butoxy-4-pyridinyl)-2-oxoacetaldehyde
CID 174434804
3,5-dibromo-4-butoxybenzaldehyde
CID 103601560
4-butoxy-3,5-difluorobenzaldehyde
CID 79018256
5-(4-pentoxyphenyl)furan-2-carbaldehyde
CID 169333298
2,6-dibutoxypyridine
CID 67437244
4-butoxybenzene-1,3-dicarbaldehyde
CID 155702679
4-butoxy-2-ethylbenzaldehyde
CID 89039391

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 3-butoxy-1,2-oxazole-5-carbaldehyde (CID 87310525) is 3-butoxy-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 3-butoxy-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 3-butoxy-1,2-oxazole-5-carbaldehyde is CCCCOc1cc(C=O)on1.
What is the InChIKey of 3-butoxy-1,2-oxazole-5-carbaldehyde?
The InChIKey is BQVHKNXMMTUZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-3-4-11-8-5-7(6-10)12-9-8/h5-6H,2-4H2,1H3.
What are the key properties of 3-butoxy-1,2-oxazole-5-carbaldehyde?
3-butoxy-1,2-oxazole-5-carbaldehyde has a molecular weight of 169.18 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 87310525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).