8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine

C17H31NO2 — CID 135182095

IUPAC8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine
SMILESCCCC1C(CCC)C1CCC12COCCN1CCO2
InChIInChI=1S/C17H31NO2/c1-3-5-14-15(6-4-2)16(14)7-8-17-13-19-11-9-18(17)10-12-20-17/h14-16H,3-13H2,1-2H3
InChIKeyGGPNKWYHNQLPFU-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.29
Rot. Bonds7

About 8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine

8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine (PubChem CID 135182095) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine.

Molecular Properties

Compound Name8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine
PubChem CID135182095
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine
SMILESCCCC1C(CCC)C1CCC12COCCN1CCO2
InChIInChI=1S/C17H31NO2/c1-3-5-14-15(6-4-2)16(14)7-8-17-13-19-11-9-18(17)10-12-20-17/h14-16H,3-13H2,1-2H3
InChIKeyGGPNKWYHNQLPFU-UHFFFAOYSA-N
XLogP3.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine?
The IUPAC name of 8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine (CID 135182095) is 8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine.
What is the SMILES notation for 8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine?
The canonical SMILES for 8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine is CCCC1C(CCC)C1CCC12COCCN1CCO2.
What is the InChIKey of 8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine?
The InChIKey is GGPNKWYHNQLPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-5-14-15(6-4-2)16(14)7-8-17-13-19-11-9-18(17)10-12-20-17/h14-16H,3-13H2,1-2H3.
What are the key properties of 8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine?
8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine has a molecular weight of 281.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine is sourced from PubChem (CID 135182095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).