2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene

C16H23NO — CID 143504528

IUPAC2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene
SMILESC=C1OC(CC)=NC1(C)CC.Cc1ccccc1
InChIInChI=1S/C9H15NO.C7H8/c1-5-8-10-9(4,6-2)7(3)11-8;1-7-5-3-2-4-6-7/h3,5-6H2,1-2,4H3;2-6H,1H3
InChIKeyXAUMRVYOROOPGH-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.50
Rot. Bonds2

About 2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene

2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene (PubChem CID 143504528) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene.

Molecular Properties

Compound Name2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene
PubChem CID143504528
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene
SMILESC=C1OC(CC)=NC1(C)CC.Cc1ccccc1
InChIInChI=1S/C9H15NO.C7H8/c1-5-8-10-9(4,6-2)7(3)11-8;1-7-5-3-2-4-6-7/h3,5-6H2,1-2,4H3;2-6H,1H3
InChIKeyXAUMRVYOROOPGH-UHFFFAOYSA-N
XLogP4.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole
CID 122207953
(5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole
CID 134862158
4,4-dimethyl-2-[1-(3-phenylprop-2-ynoxy)ethyl]-5H-1,3-oxazole
CID 10858130
13-Phenyl-tridecanoic acid, DMOX derivative
CID 91705182
2-Benzyl-4,4,5,6-tetramethyl-1,3-oxazine
CID 22754637
N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine
CID 118899900
1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene;2,4,4-trimethyl-5H-1,3-oxazole
CID 141812083
2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 142138122
2-(1-ethoxyethenyl)-3-[(E)-4-phenylbut-3-enyl]-2H-azirine
CID 170045767
4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
CID 10727505
4,4-dimethyl-2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5H-1,3-oxazole
CID 10999239

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene?
The IUPAC name of 2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene (CID 143504528) is 2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene.
What is the SMILES notation for 2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene?
The canonical SMILES for 2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene is C=C1OC(CC)=NC1(C)CC.Cc1ccccc1.
What is the InChIKey of 2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene?
The InChIKey is XAUMRVYOROOPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C7H8/c1-5-8-10-9(4,6-2)7(3)11-8;1-7-5-3-2-4-6-7/h3,5-6H2,1-2,4H3;2-6H,1H3.
What are the key properties of 2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene?
2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene has a molecular weight of 245.37 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene is sourced from PubChem (CID 143504528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).