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

C12H23NO2 — CID 3039771

IUPAC7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCCCC1OCC2(C)COC(CCC)N12
InChIInChI=1S/C12H23NO2/c1-4-6-10-13-11(7-5-2)15-9-12(13,3)8-14-10/h10-11H,4-9H2,1-3H3
InChIKeyFHOPIXLDDOCWIU-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds4

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

7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 3039771) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.

Molecular Properties

Compound Name7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID3039771
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCCCC1OCC2(C)COC(CCC)N12
InChIInChI=1S/C12H23NO2/c1-4-6-10-13-11(7-5-2)15-9-12(13,3)8-14-10/h10-11H,4-9H2,1-3H3
InChIKeyFHOPIXLDDOCWIU-UHFFFAOYSA-N
XLogP2.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The IUPAC name of 7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 3039771) is 7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.
What is the SMILES notation for 7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The canonical SMILES for 7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is CCCC1OCC2(C)COC(CCC)N12.
What is the InChIKey of 7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is FHOPIXLDDOCWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-6-10-13-11(7-5-2)15-9-12(13,3)8-14-10/h10-11H,4-9H2,1-3H3.
What are the key properties of 7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 213.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 3039771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).