benzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole

C11H15NO — CID 143618127

IUPACbenzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C)C1.c1ccccc1
InChIInChI=1S/C6H6.C5H9NO/c1-2-4-6-5-3-1;1-4-3-5(2)7-6-4/h1-6H;5H,3H2,1-2H3
InChIKeyZQBIGTRAXPSKKK-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.86
Rot. Bonds

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

benzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole (PubChem CID 143618127) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is benzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Namebenzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole
PubChem CID143618127
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Namebenzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C)C1.c1ccccc1
InChIInChI=1S/C6H6.C5H9NO/c1-2-4-6-5-3-1;1-4-3-5(2)7-6-4/h1-6H;5H,3H2,1-2H3
InChIKeyZQBIGTRAXPSKKK-UHFFFAOYSA-N
XLogP2.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143617769
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CID 143617792
CID 143617797
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CID 143617834
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CID 143617836
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CID 143617844

Frequently Asked Questions

What is the IUPAC name of benzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of benzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole (CID 143618127) is benzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for benzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for benzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole is CC1=NOC(C)C1.c1ccccc1.
What is the InChIKey of benzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is ZQBIGTRAXPSKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H9NO/c1-2-4-6-5-3-1;1-4-3-5(2)7-6-4/h1-6H;5H,3H2,1-2H3.
What are the key properties of benzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole?
benzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 177.25 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3,5-dimethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 143618127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).