[1,2]oxazolo[4,5-d][1,2]oxazole

C4H2N2O2 — CID 118210659

IUPAC[1,2]oxazolo[4,5-d][1,2]oxazole
SMILESc1noc2oncc12
InChIInChI=1S/C4H2N2O2/c1-3-2-6-8-4(3)7-5-1/h1-2H
InChIKeyDRNUCLWGVFACDZ-UHFFFAOYSA-N
MW110.07 g/mol
LogP0.82
Rot. Bonds

About [1,2]oxazolo[4,5-d][1,2]oxazole

[1,2]oxazolo[4,5-d][1,2]oxazole (PubChem CID 118210659) has the molecular formula C4H2N2O2 and a molecular weight of 110.07 g/mol. Its IUPAC name is [1,2]oxazolo[4,5-d][1,2]oxazole.

Molecular Properties

Compound Name[1,2]oxazolo[4,5-d][1,2]oxazole
PubChem CID118210659
Molecular FormulaC4H2N2O2
Molecular Weight110.07 g/mol
Exact Mass110.01
IUPAC Name[1,2]oxazolo[4,5-d][1,2]oxazole
SMILESc1noc2oncc12
InChIInChI=1S/C4H2N2O2/c1-3-2-6-8-4(3)7-5-1/h1-2H
InChIKeyDRNUCLWGVFACDZ-UHFFFAOYSA-N
XLogP0.82
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.07
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-1,2-benzoxazole
CID 54539975
5-fluoro-1,2-benzoxazol-6-amine
CID 117110014
5,6-dimethyl-1,2-benzoxazole
CID 59539331
6-(difluoromethyl)-1,2-benzoxazole
CID 84653295
1,2-benzoxazol-6-ol
CID 135599839
5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine
CID 145409612
benzo[g][1,2]benzoxazole
CID 11030249
(5-fluoro-1,2-benzoxazol-6-yl)methanamine
CID 117109985
5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine
CID 162788489
7-methyl-[1,2]oxazolo[5,4-c]pyridine
CID 118899227
7-bromo-6-methyl-1,2-benzoxazole
CID 130063933
6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine
CID 130232018

Frequently Asked Questions

What is the IUPAC name of [1,2]oxazolo[4,5-d][1,2]oxazole?
The IUPAC name of [1,2]oxazolo[4,5-d][1,2]oxazole (CID 118210659) is [1,2]oxazolo[4,5-d][1,2]oxazole.
What is the SMILES notation for [1,2]oxazolo[4,5-d][1,2]oxazole?
The canonical SMILES for [1,2]oxazolo[4,5-d][1,2]oxazole is c1noc2oncc12.
What is the InChIKey of [1,2]oxazolo[4,5-d][1,2]oxazole?
The InChIKey is DRNUCLWGVFACDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2O2/c1-3-2-6-8-4(3)7-5-1/h1-2H.
What are the key properties of [1,2]oxazolo[4,5-d][1,2]oxazole?
[1,2]oxazolo[4,5-d][1,2]oxazole has a molecular weight of 110.07 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2]oxazolo[4,5-d][1,2]oxazole is sourced from PubChem (CID 118210659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).