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

C12H20N2O2 — CID 57055580

IUPAC2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(CCC(C)C2=NCCO2)=N1
InChIInChI=1S/C12H20N2O2/c1-3-10-8-16-11(14-10)5-4-9(2)12-13-6-7-15-12/h9-10H,3-8H2,1-2H3
InChIKeyOTKVFXAIBGANIZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.04
Rot. Bonds5

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

2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole (PubChem CID 57055580) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole
PubChem CID57055580
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(CCC(C)C2=NCCO2)=N1
InChIInChI=1S/C12H20N2O2/c1-3-10-8-16-11(14-10)5-4-9(2)12-13-6-7-15-12/h9-10H,3-8H2,1-2H3
InChIKeyOTKVFXAIBGANIZ-UHFFFAOYSA-N
XLogP2.04
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)methane
CID 10955621
(4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-isobutyl-4,5-dihydrooxazole)
CID 10891732
(4R,4'R)-2,2'-methylenebis[4,5-dihydro-4-(1-methylethyl)oxazole]
CID 11139180
(4S,4'S)-2,2'-(Ethane-1,1-diyl)bis(4-isopropyl-4,5-dihydrooxazole)
CID 11368772
4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butan-1-ol
CID 57815579
(4S)-4-propan-2-yl-2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole
CID 14868994
Bis(4-isopropyl-4,5-dihydrooxazol-2-yl)methane
CID 4281291
4-Propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
CID 14868993
2-[4-(4,5-Dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole
CID 20036726
2-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl]-4,4-dimethyl-5H-1,3-oxazole
CID 21639201
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole
CID 22924268
2-[3-(4-Ethyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 57025825

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole (CID 57055580) is 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole is CCC1COC(CCC(C)C2=NCCO2)=N1.
What is the InChIKey of 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole?
The InChIKey is OTKVFXAIBGANIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-10-8-16-11(14-10)5-4-9(2)12-13-6-7-15-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole?
2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole has a molecular weight of 224.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57055580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).