ethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole

C14H21NO — CID 143617801

IUPACethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(C)=NO1.CCc1ccccc1
InChIInChI=1S/C8H10.C6H11NO/c1-2-8-6-4-3-5-7-8;1-3-6-4-5(2)7-8-6/h3-7H,2H2,1H3;6H,3-4H2,1-2H3
InChIKeyNDVGYRHUSTWBCA-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.81
Rot. Bonds2

About ethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole

ethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 143617801) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is ethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Nameethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID143617801
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nameethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(C)=NO1.CCc1ccccc1
InChIInChI=1S/C8H10.C6H11NO/c1-2-8-6-4-3-5-7-8;1-3-6-4-5(2)7-8-6/h3-7H,2H2,1H3;6H,3-4H2,1-2H3
InChIKeyNDVGYRHUSTWBCA-UHFFFAOYSA-N
XLogP3.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of ethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole (CID 143617801) is ethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for ethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for ethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole is CCC1CC(C)=NO1.CCc1ccccc1.
What is the InChIKey of ethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is NDVGYRHUSTWBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H11NO/c1-2-8-6-4-3-5-7-8;1-3-6-4-5(2)7-8-6/h3-7H,2H2,1H3;6H,3-4H2,1-2H3.
What are the key properties of ethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole?
ethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 219.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 143617801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).