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

C13H19N3O3 — CID 57192341

IUPAC2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESC1COC(CCC(CC2=NCCO2)C2=NCCO2)=N1
InChIInChI=1S/C13H19N3O3/c1(2-11-14-3-6-17-11)10(13-16-5-8-19-13)9-12-15-4-7-18-12/h10H,1-9H2
InChIKeyPOUMLXOLTOKXTQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.06
Rot. Bonds6

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

2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 57192341) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID57192341
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESC1COC(CCC(CC2=NCCO2)C2=NCCO2)=N1
InChIInChI=1S/C13H19N3O3/c1(2-11-14-3-6-17-11)10(13-16-5-8-19-13)9-12-15-4-7-18-12/h10H,1-9H2
InChIKeyPOUMLXOLTOKXTQ-UHFFFAOYSA-N
XLogP1.06
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole (CID 57192341) is 2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole is C1COC(CCC(CC2=NCCO2)C2=NCCO2)=N1.
What is the InChIKey of 2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is POUMLXOLTOKXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1(2-11-14-3-6-17-11)10(13-16-5-8-19-13)9-12-15-4-7-18-12/h10H,1-9H2.
What are the key properties of 2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole?
2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 265.31 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57192341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).