3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione

C8H11NO4 — CID 143477465

IUPAC3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione
SMILESCCCC12CC(=O)ON1OC(=O)C2
InChIInChI=1S/C8H11NO4/c1-2-3-8-4-6(10)12-9(8)13-7(11)5-8/h2-5H2,1H3
InChIKeyPSTVSSGKCBQCQF-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.55
Rot. Bonds2

About 3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione

3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione (PubChem CID 143477465) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione.

Molecular Properties

Compound Name3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione
PubChem CID143477465
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione
SMILESCCCC12CC(=O)ON1OC(=O)C2
InChIInChI=1S/C8H11NO4/c1-2-3-8-4-6(10)12-9(8)13-7(11)5-8/h2-5H2,1H3
InChIKeyPSTVSSGKCBQCQF-UHFFFAOYSA-N
XLogP0.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione?
The IUPAC name of 3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione (CID 143477465) is 3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione.
What is the SMILES notation for 3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione?
The canonical SMILES for 3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione is CCCC12CC(=O)ON1OC(=O)C2.
What is the InChIKey of 3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione?
The InChIKey is PSTVSSGKCBQCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-3-8-4-6(10)12-9(8)13-7(11)5-8/h2-5H2,1H3.
What are the key properties of 3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione?
3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione has a molecular weight of 185.18 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione is sourced from PubChem (CID 143477465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).