5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole

C10H15N3O2 — CID 123186816

IUPAC5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESC1=NCC(C2CCC(C3=NCCN3)O2)O1
InChIInChI=1S/C10H15N3O2/c1-2-8(10-12-3-4-13-10)15-7(1)9-5-11-6-14-9/h6-9H,1-5H2,(H,12,13)
InChIKeyGXRODHMTLDOZEX-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.04
Rot. Bonds2

About 5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole

5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 123186816) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID123186816
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESC1=NCC(C2CCC(C3=NCCN3)O2)O1
InChIInChI=1S/C10H15N3O2/c1-2-8(10-12-3-4-13-10)15-7(1)9-5-11-6-14-9/h6-9H,1-5H2,(H,12,13)
InChIKeyGXRODHMTLDOZEX-UHFFFAOYSA-N
XLogP-0.04
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole (CID 123186816) is 5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole is C1=NCC(C2CCC(C3=NCCN3)O2)O1.
What is the InChIKey of 5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is GXRODHMTLDOZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-8(10-12-3-4-13-10)15-7(1)9-5-11-6-14-9/h6-9H,1-5H2,(H,12,13).
What are the key properties of 5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole?
5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 209.25 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 123186816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).