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

C11H18N2O2 — CID 121442660

IUPAC2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(C(C)C2=NC(C)CO2)=N1
InChIInChI=1S/C11H18N2O2/c1-4-9-6-15-11(13-9)8(3)10-12-7(2)5-14-10/h7-9H,4-6H2,1-3H3
InChIKeyBIYZDTSKWXRWEK-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.65
Rot. Bonds3

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

2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 121442660) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole
PubChem CID121442660
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(C(C)C2=NC(C)CO2)=N1
InChIInChI=1S/C11H18N2O2/c1-4-9-6-15-11(13-9)8(3)10-12-7(2)5-14-10/h7-9H,4-6H2,1-3H3
InChIKeyBIYZDTSKWXRWEK-UHFFFAOYSA-N
XLogP1.65
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 20730304
(4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole
CID 89231723
dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole)
CID 58936995
4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
CID 154790116
2-[4-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole
CID 57218866
(4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole
CID 131845397
(4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole
CID 101211386
(4S)-4-ethyl-2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101098684
4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole
CID 19844013
(4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101157322
(4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole
CID 149420801
2-(chloromethyl)-4-methyl-4,5-dihydro-1,3-oxazole
CID 55298503

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole (CID 121442660) is 2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole is CCC1COC(C(C)C2=NC(C)CO2)=N1.
What is the InChIKey of 2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is BIYZDTSKWXRWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-9-6-15-11(13-9)8(3)10-12-7(2)5-14-10/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole?
2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 210.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 121442660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).