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

C12H17NO — CID 143617751

IUPACethylbenzene;3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOCC1.CCc1ccccc1
InChIInChI=1S/C8H10.C4H7NO/c1-2-8-6-4-3-5-7-8;1-4-2-3-6-5-4/h3-7H,2H2,1H3;2-3H2,1H3
InChIKeyYBVYFFJKQXTYNE-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.03
Rot. Bonds1

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

ethylbenzene;3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 143617751) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is ethylbenzene;3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Nameethylbenzene;3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID143617751
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nameethylbenzene;3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOCC1.CCc1ccccc1
InChIInChI=1S/C8H10.C4H7NO/c1-2-8-6-4-3-5-7-8;1-4-2-3-6-5-4/h3-7H,2H2,1H3;2-3H2,1H3
InChIKeyYBVYFFJKQXTYNE-UHFFFAOYSA-N
XLogP3.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of ethylbenzene;3-methyl-4,5-dihydro-1,2-oxazole (CID 143617751) is ethylbenzene;3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for ethylbenzene;3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for ethylbenzene;3-methyl-4,5-dihydro-1,2-oxazole is CC1=NOCC1.CCc1ccccc1.
What is the InChIKey of ethylbenzene;3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is YBVYFFJKQXTYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C4H7NO/c1-2-8-6-4-3-5-7-8;1-4-2-3-6-5-4/h3-7H,2H2,1H3;2-3H2,1H3.
What are the key properties of ethylbenzene;3-methyl-4,5-dihydro-1,2-oxazole?
ethylbenzene;3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 191.27 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 143617751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).