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

C14H23NO2 — CID 18372911

IUPAC3-decyl-1,2-oxazole-5-carbaldehyde
SMILESCCCCCCCCCCc1cc(C=O)on1
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-10-13-11-14(12-16)17-15-13/h11-12H,2-10H2,1H3
InChIKeyQGYXSQWDFCPQHB-UHFFFAOYSA-N
MW237.34 g/mol
LogP4.17
Rot. Bonds10

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

3-decyl-1,2-oxazole-5-carbaldehyde (PubChem CID 18372911) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-decyl-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name3-decyl-1,2-oxazole-5-carbaldehyde
PubChem CID18372911
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-decyl-1,2-oxazole-5-carbaldehyde
SMILESCCCCCCCCCCc1cc(C=O)on1
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-10-13-11-14(12-16)17-15-13/h11-12H,2-10H2,1H3
InChIKeyQGYXSQWDFCPQHB-UHFFFAOYSA-N
XLogP4.17
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-decyl-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-octyl-1,2-oxazol-5-amine
CID 65427877
3,5-dipentyl-1,2-oxazole
CID 66668490
3-butyl-5-methyl-1,2-oxazole
CID 19872036
3-butoxy-1,2-oxazole-5-carbaldehyde
CID 87310525
2-(3-heptyl-1,2-oxazol-5-yl)ethanol
CID 65017895
5-benzyl-3-dodecyl-1,2-oxazole
CID 10592339
4,5-di(tricosyl)furan-2-carbaldehyde
CID 177254410
(NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine
CID 135451131
(3-butyl-1,2-oxazol-5-yl)methanol
CID 12045691
1-(3-decyl-1,2-oxazol-5-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 11796760
N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine
CID 60691345
4,6-di(pentadecyl)pyrimidine
CID 91242686

Frequently Asked Questions

What is the IUPAC name of 3-decyl-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 3-decyl-1,2-oxazole-5-carbaldehyde (CID 18372911) is 3-decyl-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 3-decyl-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 3-decyl-1,2-oxazole-5-carbaldehyde is CCCCCCCCCCc1cc(C=O)on1.
What is the InChIKey of 3-decyl-1,2-oxazole-5-carbaldehyde?
The InChIKey is QGYXSQWDFCPQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-10-13-11-14(12-16)17-15-13/h11-12H,2-10H2,1H3.
What are the key properties of 3-decyl-1,2-oxazole-5-carbaldehyde?
3-decyl-1,2-oxazole-5-carbaldehyde has a molecular weight of 237.34 g/mol, XLogP of 4.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 18372911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).