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

C12H17NO — CID 143003015

IUPAC3,5-dimethyl-4,5-dihydro-1,2-oxazole;toluene
SMILESCC1=NOC(C)C1.Cc1ccccc1
InChIInChI=1S/C7H8.C5H9NO/c1-7-5-3-2-4-6-7;1-4-3-5(2)7-6-4/h2-6H,1H3;5H,3H2,1-2H3
InChIKeyUCSXUVURVNEHAX-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.17
Rot. Bonds

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

3,5-dimethyl-4,5-dihydro-1,2-oxazole;toluene (PubChem CID 143003015) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3,5-dimethyl-4,5-dihydro-1,2-oxazole;toluene.

Molecular Properties

Compound Name3,5-dimethyl-4,5-dihydro-1,2-oxazole;toluene
PubChem CID143003015
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3,5-dimethyl-4,5-dihydro-1,2-oxazole;toluene
SMILESCC1=NOC(C)C1.Cc1ccccc1
InChIInChI=1S/C7H8.C5H9NO/c1-7-5-3-2-4-6-7;1-4-3-5(2)7-6-4/h2-6H,1H3;5H,3H2,1-2H3
InChIKeyUCSXUVURVNEHAX-UHFFFAOYSA-N
XLogP3.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4,5-dihydro-1,2-oxazole;toluene?
The IUPAC name of 3,5-dimethyl-4,5-dihydro-1,2-oxazole;toluene (CID 143003015) is 3,5-dimethyl-4,5-dihydro-1,2-oxazole;toluene.
What is the SMILES notation for 3,5-dimethyl-4,5-dihydro-1,2-oxazole;toluene?
The canonical SMILES for 3,5-dimethyl-4,5-dihydro-1,2-oxazole;toluene is CC1=NOC(C)C1.Cc1ccccc1.
What is the InChIKey of 3,5-dimethyl-4,5-dihydro-1,2-oxazole;toluene?
The InChIKey is UCSXUVURVNEHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H9NO/c1-7-5-3-2-4-6-7;1-4-3-5(2)7-6-4/h2-6H,1H3;5H,3H2,1-2H3.
What are the key properties of 3,5-dimethyl-4,5-dihydro-1,2-oxazole;toluene?
3,5-dimethyl-4,5-dihydro-1,2-oxazole;toluene has a molecular weight of 191.27 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4,5-dihydro-1,2-oxazole;toluene is sourced from PubChem (CID 143003015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).