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

C12H17NO — CID 143617836

IUPACbenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(C)=NO1.c1ccccc1
InChIInChI=1S/C6H11NO.C6H6/c1-3-6-4-5(2)7-8-6;1-2-4-6-5-3-1/h6H,3-4H2,1-2H3;1-6H
InChIKeyBZBSUYCWPZZBFN-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.25
Rot. Bonds1

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

benzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 143617836) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is benzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Namebenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID143617836
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namebenzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(C)=NO1.c1ccccc1
InChIInChI=1S/C6H11NO.C6H6/c1-3-6-4-5(2)7-8-6;1-2-4-6-5-3-1/h6H,3-4H2,1-2H3;1-6H
InChIKeyBZBSUYCWPZZBFN-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of benzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole (CID 143617836) is benzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for benzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for benzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole is CCC1CC(C)=NO1.c1ccccc1.
What is the InChIKey of benzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is BZBSUYCWPZZBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C6H6/c1-3-6-4-5(2)7-8-6;1-2-4-6-5-3-1/h6H,3-4H2,1-2H3;1-6H.
What are the key properties of benzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole?
benzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 191.27 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 143617836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).