5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole

C14H25NO2 — CID 139320118

IUPAC5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole
SMILESCCCCCCC(C)(CC)OCc1cnco1
InChIInChI=1S/C14H25NO2/c1-4-6-7-8-9-14(3,5-2)17-11-13-10-15-12-16-13/h10,12H,4-9,11H2,1-3H3
InChIKeyHXCYDCXHSYZCDK-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.33
Rot. Bonds9

About 5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole

5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole (PubChem CID 139320118) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole
PubChem CID139320118
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole
SMILESCCCCCCC(C)(CC)OCc1cnco1
InChIInChI=1S/C14H25NO2/c1-4-6-7-8-9-14(3,5-2)17-11-13-10-15-12-16-13/h10,12H,4-9,11H2,1-3H3
InChIKeyHXCYDCXHSYZCDK-UHFFFAOYSA-N
XLogP4.33
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole 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

5-(3-methylpentadecan-3-yl)-1,3-oxazole
CID 170549618
5-(6,6-dimethylheptyl)-1,3-oxazole
CID 59842159
5-butyl-1,3-oxazole
CID 18000835
5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole
CID 134508133
3-methyl-3-(3-methyloctadecan-3-yloxy)octadecane
CID 141329279
3-methoxy-3-methyldodecane
CID 150409844
2-(3-methylnonan-3-yloxymethyl)oxirane
CID 154930049
5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine
CID 155370865
9-heptoxy-9-methylhenicosane
CID 91127088
2,2-diethoxynonane
CID 89439020
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
16-(10-fluorodecoxy)-16-methylhentriacontane
CID 139714709

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole?
The IUPAC name of 5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole (CID 139320118) is 5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole.
What is the SMILES notation for 5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole?
The canonical SMILES for 5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole is CCCCCCC(C)(CC)OCc1cnco1.
What is the InChIKey of 5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole?
The InChIKey is HXCYDCXHSYZCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-6-7-8-9-14(3,5-2)17-11-13-10-15-12-16-13/h10,12H,4-9,11H2,1-3H3.
What are the key properties of 5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole?
5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole has a molecular weight of 239.36 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole is sourced from PubChem (CID 139320118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).