7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

C19H37NO2 — CID 66910765

IUPAC7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCCCCCCCCCCCCCCC12COCN1COC2
InChIInChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-21-17-20(19)18-22-16-19/h2-18H2,1H3
InChIKeyHNWNJEWOCALHKX-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.09
Rot. Bonds13

About 7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 66910765) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.

Molecular Properties

Compound Name7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID66910765
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCCCCCCCCCCCCCCC12COCN1COC2
InChIInChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-21-17-20(19)18-22-16-19/h2-18H2,1H3
InChIKeyHNWNJEWOCALHKX-UHFFFAOYSA-N
XLogP5.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7a-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
CID 66910741
3-methyl-3-octyloxetane
CID 162658167
2-hexadecyl-2-tetradecyloxirane
CID 71421731
2-methyl-2-nonadecyloxirane
CID 87754306
2-icosyl-2-methyloxirane
CID 87753382
2-hexadecyl-2-methyloxirane
CID 87444144
1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine
CID 59639475
2-octyloxiran-2-amine
CID 87096100
2-fluoro-2-hexyloxirane
CID 21452195
2-hexyl-2-propyloxirane
CID 139691135
4,4-dioctyl-1,3-oxazolidine
CID 66910759
2-hexyl-2-propan-2-yloxirane
CID 170634762

Frequently Asked Questions

What is the IUPAC name of 7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The IUPAC name of 7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 66910765) is 7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.
What is the SMILES notation for 7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The canonical SMILES for 7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is CCCCCCCCCCCCCCC12COCN1COC2.
What is the InChIKey of 7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is HNWNJEWOCALHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-21-17-20(19)18-22-16-19/h2-18H2,1H3.
What are the key properties of 7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 311.51 g/mol, XLogP of 5.09, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-tetradecyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 66910765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).