(7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole

C9H17NO2 — CID 150984007

IUPAC(7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCC1(C)OCN2[C@H]1COC2(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)7-5-11-9(3,4)10(7)6-12-8/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyLQRNIPQXGYHRBC-ZETCQYMHSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds

About (7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole

(7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 150984007) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole.

Molecular Properties

Compound Name(7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID150984007
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCC1(C)OCN2[C@H]1COC2(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)7-5-11-9(3,4)10(7)6-12-8/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyLQRNIPQXGYHRBC-ZETCQYMHSA-N
XLogP1.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[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 (7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole?
The IUPAC name of (7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 150984007) is (7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole.
What is the SMILES notation for (7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole?
The canonical SMILES for (7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole is CC1(C)OCN2[C@H]1COC2(C)C.
What is the InChIKey of (7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is LQRNIPQXGYHRBC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)7-5-11-9(3,4)10(7)6-12-8/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of (7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole?
(7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 171.24 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-3,3,7,7-tetramethyl-5,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 150984007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).