2-propyl-4-tridecyl-1,3-oxazolidine

C19H39NO — CID 66910843

IUPAC2-propyl-4-tridecyl-1,3-oxazolidine
SMILESCCCCCCCCCCCCCC1COC(CCC)N1
InChIInChI=1S/C19H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-16-18-17-21-19(20-18)15-4-2/h18-20H,3-17H2,1-2H3
InChIKeyNFRISKVBWSYWHE-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.80
Rot. Bonds14

About 2-propyl-4-tridecyl-1,3-oxazolidine

2-propyl-4-tridecyl-1,3-oxazolidine (PubChem CID 66910843) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-propyl-4-tridecyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-propyl-4-tridecyl-1,3-oxazolidine
PubChem CID66910843
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name2-propyl-4-tridecyl-1,3-oxazolidine
SMILESCCCCCCCCCCCCCC1COC(CCC)N1
InChIInChI=1S/C19H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-16-18-17-21-19(20-18)15-4-2/h18-20H,3-17H2,1-2H3
InChIKeyNFRISKVBWSYWHE-UHFFFAOYSA-N
XLogP5.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-ethyl-2-pentyl-1,3-oxazolidine
CID 10607282
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
4-methyl-2-propyl-1,3-oxazolidine;hydrochloride
CID 117228385
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-tetratetracontyloxirane
CID 102093754
2-tetradecyloxirane
CID 23741
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
(2R)-2-octadecyloxirane
CID 98043533
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
2-hexadecyloxirane;tetradecane
CID 174899291

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-tridecyl-1,3-oxazolidine?
The IUPAC name of 2-propyl-4-tridecyl-1,3-oxazolidine (CID 66910843) is 2-propyl-4-tridecyl-1,3-oxazolidine.
What is the SMILES notation for 2-propyl-4-tridecyl-1,3-oxazolidine?
The canonical SMILES for 2-propyl-4-tridecyl-1,3-oxazolidine is CCCCCCCCCCCCCC1COC(CCC)N1.
What is the InChIKey of 2-propyl-4-tridecyl-1,3-oxazolidine?
The InChIKey is NFRISKVBWSYWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-16-18-17-21-19(20-18)15-4-2/h18-20H,3-17H2,1-2H3.
What are the key properties of 2-propyl-4-tridecyl-1,3-oxazolidine?
2-propyl-4-tridecyl-1,3-oxazolidine has a molecular weight of 297.53 g/mol, XLogP of 5.80, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-tridecyl-1,3-oxazolidine is sourced from PubChem (CID 66910843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).