4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole

C15H26N2O2 — CID 139566761

IUPAC4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
SMILESCCCCC1COC(CC2=NC(CCCC)CO2)=N1
InChIInChI=1S/C15H26N2O2/c1-3-5-7-12-10-18-14(16-12)9-15-17-13(11-19-15)8-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyFYVIRYCIFYPDSN-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.35
Rot. Bonds8

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

4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 139566761) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
PubChem CID139566761
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
SMILESCCCCC1COC(CC2=NC(CCCC)CO2)=N1
InChIInChI=1S/C15H26N2O2/c1-3-5-7-12-10-18-14(16-12)9-15-17-13(11-19-15)8-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyFYVIRYCIFYPDSN-UHFFFAOYSA-N
XLogP3.35
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole (CID 139566761) is 4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole is CCCCC1COC(CC2=NC(CCCC)CO2)=N1.
What is the InChIKey of 4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is FYVIRYCIFYPDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-5-7-12-10-18-14(16-12)9-15-17-13(11-19-15)8-6-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole?
4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 266.38 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139566761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).