3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione

C8H4N2O4 — CID 102579895

IUPAC3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
SMILESO=c1[nH]c2cc3oc(=O)[nH]c3cc2o1
InChIInChI=1S/C8H4N2O4/c11-7-9-3-1-5-4(2-6(3)14-7)10-8(12)13-5/h1-2H,(H,9,11)(H,10,12)
InChIKeyULMMKWQCKQBHSF-UHFFFAOYSA-N
MW192.13 g/mol
LogP0.56
Rot. Bonds

About 3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione

3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione (PubChem CID 102579895) has the molecular formula C8H4N2O4 and a molecular weight of 192.13 g/mol. Its IUPAC name is 3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione.

Molecular Properties

Compound Name3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
PubChem CID102579895
Molecular FormulaC8H4N2O4
Molecular Weight192.13 g/mol
Exact Mass192.02
IUPAC Name3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
SMILESO=c1[nH]c2cc3oc(=O)[nH]c3cc2o1
InChIInChI=1S/C8H4N2O4/c11-7-9-3-1-5-4(2-6(3)14-7)10-8(12)13-5/h1-2H,(H,9,11)(H,10,12)
InChIKeyULMMKWQCKQBHSF-UHFFFAOYSA-N
XLogP0.56
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-difluoro-3H-1,3-benzoxazol-2-one
CID 11535637
5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
CID 171035252
6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one
CID 58343933
5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 169443599
CID 67925044
CID 67925044
5-amino-3H-1,3-benzoxazol-2-one
CID 26856
6-methylsulfanyl-3H-1,3-benzoxazol-2-one
CID 130992219
5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one
CID 155726920
5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one
CID 141490122
5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one
CID 142177691
6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 122164517
6-amino-3H-1,3-benzoxazol-2-one;chloroform
CID 161389670

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione?
The IUPAC name of 3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione (CID 102579895) is 3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione.
What is the SMILES notation for 3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione?
The canonical SMILES for 3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione is O=c1[nH]c2cc3oc(=O)[nH]c3cc2o1.
What is the InChIKey of 3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione?
The InChIKey is ULMMKWQCKQBHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O4/c11-7-9-3-1-5-4(2-6(3)14-7)10-8(12)13-5/h1-2H,(H,9,11)(H,10,12).
What are the key properties of 3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione?
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione has a molecular weight of 192.13 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione is sourced from PubChem (CID 102579895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).