(3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

C13H25NO2 — CID 688278

IUPAC(3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCCC12CO[C@H](C(C)C)N1[C@@H](C(C)C)OC2
InChIInChI=1S/C13H25NO2/c1-6-13-7-15-11(9(2)3)14(13)12(10(4)5)16-8-13/h9-12H,6-8H2,1-5H3/t11-,12-/m1/s1
InChIKeyZFNYRUONSKXJOW-VXGBXAGGSA-N
MW227.35 g/mol
LogP2.46
Rot. Bonds3

About (3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

(3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 688278) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.

Molecular Properties

Compound Name(3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID688278
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCCC12CO[C@H](C(C)C)N1[C@@H](C(C)C)OC2
InChIInChI=1S/C13H25NO2/c1-6-13-7-15-11(9(2)3)14(13)12(10(4)5)16-8-13/h9-12H,6-8H2,1-5H3/t11-,12-/m1/s1
InChIKeyZFNYRUONSKXJOW-VXGBXAGGSA-N
XLogP2.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][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

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The IUPAC name of (3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 688278) is (3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.
What is the SMILES notation for (3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The canonical SMILES for (3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is CCC12CO[C@H](C(C)C)N1[C@@H](C(C)C)OC2.
What is the InChIKey of (3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is ZFNYRUONSKXJOW-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-13-7-15-11(9(2)3)14(13)12(10(4)5)16-8-13/h9-12H,6-8H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of (3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
(3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 227.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 688278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).