2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole

C12H17N3O3 — CID 57244596

IUPAC2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESC1COC(CC(CC2=NCCO2)C2=NCCO2)=N1
InChIInChI=1S/C12H17N3O3/c1-4-16-10(13-1)7-9(12-15-3-6-18-12)8-11-14-2-5-17-11/h9H,1-8H2
InChIKeyZBVKECCDRPHSFZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.67
Rot. Bonds5

About 2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole

2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 57244596) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID57244596
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESC1COC(CC(CC2=NCCO2)C2=NCCO2)=N1
InChIInChI=1S/C12H17N3O3/c1-4-16-10(13-1)7-9(12-15-3-6-18-12)8-11-14-2-5-17-11/h9H,1-8H2
InChIKeyZBVKECCDRPHSFZ-UHFFFAOYSA-N
XLogP0.67
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole (CID 57244596) is 2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole is C1COC(CC(CC2=NCCO2)C2=NCCO2)=N1.
What is the InChIKey of 2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ZBVKECCDRPHSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-16-10(13-1)7-9(12-15-3-6-18-12)8-11-14-2-5-17-11/h9H,1-8H2.
What are the key properties of 2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 251.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57244596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).