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

C11H15NO — CID 54530071

IUPAC2-methyl-4,5-dihydro-1,3-oxazole;toluene
SMILESCC1=NCCO1.Cc1ccccc1
InChIInChI=1S/C7H8.C4H7NO/c1-7-5-3-2-4-6-7;1-4-5-2-3-6-4/h2-6H,1H3;2-3H2,1H3
InChIKeyYVWQMNOKLINNLX-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.43
Rot. Bonds

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

2-methyl-4,5-dihydro-1,3-oxazole;toluene (PubChem CID 54530071) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-1,3-oxazole;toluene.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-1,3-oxazole;toluene
PubChem CID54530071
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-methyl-4,5-dihydro-1,3-oxazole;toluene
SMILESCC1=NCCO1.Cc1ccccc1
InChIInChI=1S/C7H8.C4H7NO/c1-7-5-3-2-4-6-7;1-4-5-2-3-6-4/h2-6H,1H3;2-3H2,1H3
InChIKeyYVWQMNOKLINNLX-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-phenylethenyl)-
CID 6311587
AG-H-02521
CID 5325154
2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 21893989
2-Benzyl-4,5-dihydro-1,3-oxazole
CID 299603
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
(4S,5R)-2-methyl-5-(2-phenylethynyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
CID 134966853
(5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole
CID 134862158
4,4-Dimethyl-2-(2-phenylethenyl)-2-oxazoline
CID 121136
(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 12694682
2-Benzyl-5,5-dimethyloxazoline
CID 13546526

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-1,3-oxazole;toluene?
The IUPAC name of 2-methyl-4,5-dihydro-1,3-oxazole;toluene (CID 54530071) is 2-methyl-4,5-dihydro-1,3-oxazole;toluene.
What is the SMILES notation for 2-methyl-4,5-dihydro-1,3-oxazole;toluene?
The canonical SMILES for 2-methyl-4,5-dihydro-1,3-oxazole;toluene is CC1=NCCO1.Cc1ccccc1.
What is the InChIKey of 2-methyl-4,5-dihydro-1,3-oxazole;toluene?
The InChIKey is YVWQMNOKLINNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H7NO/c1-7-5-3-2-4-6-7;1-4-5-2-3-6-4/h2-6H,1H3;2-3H2,1H3.
What are the key properties of 2-methyl-4,5-dihydro-1,3-oxazole;toluene?
2-methyl-4,5-dihydro-1,3-oxazole;toluene has a molecular weight of 177.25 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-1,3-oxazole;toluene is sourced from PubChem (CID 54530071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).