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

C6H8N2O2 — CID 173474636

IUPAC2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole
SMILESC1=NCC(C2=NCCO2)O1
InChIInChI=1S/C6H8N2O2/c1-2-9-6(8-1)5-3-7-4-10-5/h4-5H,1-3H2
InChIKeyNNWCJRSWJBIMJT-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.16
Rot. Bonds1

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

2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 173474636) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole
PubChem CID173474636
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole
SMILESC1=NCC(C2=NCCO2)O1
InChIInChI=1S/C6H8N2O2/c1-2-9-6(8-1)5-3-7-4-10-5/h4-5H,1-3H2
InChIKeyNNWCJRSWJBIMJT-UHFFFAOYSA-N
XLogP-0.16
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole (CID 173474636) is 2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole is C1=NCC(C2=NCCO2)O1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is NNWCJRSWJBIMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-9-6(8-1)5-3-7-4-10-5/h4-5H,1-3H2.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole?
2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 140.14 g/mol, XLogP of -0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 173474636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).