[1,3]oxazolo[5,4-c][1,2]oxazole

C4H2N2O2 — CID 122672156

IUPAC[1,3]oxazolo[5,4-c][1,2]oxazole
SMILESc1nc2conc2o1
InChIInChI=1S/C4H2N2O2/c1-3-4(6-8-1)7-2-5-3/h1-2H
InChIKeyXVYOTYXROFCXBG-UHFFFAOYSA-N
MW110.07 g/mol
LogP0.82
Rot. Bonds

About [1,3]oxazolo[5,4-c][1,2]oxazole

[1,3]oxazolo[5,4-c][1,2]oxazole (PubChem CID 122672156) has the molecular formula C4H2N2O2 and a molecular weight of 110.07 g/mol. Its IUPAC name is [1,3]oxazolo[5,4-c][1,2]oxazole.

Molecular Properties

Compound Name[1,3]oxazolo[5,4-c][1,2]oxazole
PubChem CID122672156
Molecular FormulaC4H2N2O2
Molecular Weight110.07 g/mol
Exact Mass110.01
IUPAC Name[1,3]oxazolo[5,4-c][1,2]oxazole
SMILESc1nc2conc2o1
InChIInChI=1S/C4H2N2O2/c1-3-4(6-8-1)7-2-5-3/h1-2H
InChIKeyXVYOTYXROFCXBG-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

[1,3]oxazolo[5,4-d][1,3]oxazole
CID 59600546
6-chloro-[1,3]oxazolo[5,4-b]pyridine
CID 55252688
[1,3]oxazolo[5,4-b]pyridin-6-ol
CID 146568826
2-([1,3]oxazolo[5,4-b]pyridin-6-yl)ethanamine
CID 84651562
5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 143140764
6-chloro-[1,2]oxazolo[4,3-b]pyridine
CID 146018382
CID 161250572
CID 161250572
CID 70416438
CID 70416438
1,3-benzoxazole;naphthalene
CID 69020592
7-methyl-[1,3]oxazolo[4,5-c]pyridine
CID 58957220
1,3-benzoxazol-6-amine
CID 584120
1,3-benzoxazole;boric acid
CID 157492468

Frequently Asked Questions

What is the IUPAC name of [1,3]oxazolo[5,4-c][1,2]oxazole?
The IUPAC name of [1,3]oxazolo[5,4-c][1,2]oxazole (CID 122672156) is [1,3]oxazolo[5,4-c][1,2]oxazole.
What is the SMILES notation for [1,3]oxazolo[5,4-c][1,2]oxazole?
The canonical SMILES for [1,3]oxazolo[5,4-c][1,2]oxazole is c1nc2conc2o1.
What is the InChIKey of [1,3]oxazolo[5,4-c][1,2]oxazole?
The InChIKey is XVYOTYXROFCXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2O2/c1-3-4(6-8-1)7-2-5-3/h1-2H.
What are the key properties of [1,3]oxazolo[5,4-c][1,2]oxazole?
[1,3]oxazolo[5,4-c][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 [1,3]oxazolo[5,4-c][1,2]oxazole is sourced from PubChem (CID 122672156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).