3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole

C6H6N2O2 — CID 18989369

IUPAC3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole
SMILESc1cc(C2=NCCO2)no1
InChIInChI=1S/C6H6N2O2/c1-3-10-8-5(1)6-7-2-4-9-6/h1,3H,2,4H2
InChIKeyRSLIRMNRFJWQBX-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.45
Rot. Bonds1

About 3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole

3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole (PubChem CID 18989369) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole
PubChem CID18989369
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole
SMILESc1cc(C2=NCCO2)no1
InChIInChI=1S/C6H6N2O2/c1-3-10-8-5(1)6-7-2-4-9-6/h1,3H,2,4H2
InChIKeyRSLIRMNRFJWQBX-UHFFFAOYSA-N
XLogP0.45
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole?
The IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole (CID 18989369) is 3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole is c1cc(C2=NCCO2)no1.
What is the InChIKey of 3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole?
The InChIKey is RSLIRMNRFJWQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-3-10-8-5(1)6-7-2-4-9-6/h1,3H,2,4H2.
What are the key properties of 3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole?
3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole has a molecular weight of 138.13 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-oxazol-2-yl)-1,2-oxazole is sourced from PubChem (CID 18989369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).