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

C13H21NO — CID 143617792

IUPACethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene
SMILESCC.CC1=NOCC1.Cc1ccccc1
InChIInChI=1S/C7H8.C4H7NO.C2H6/c1-7-5-3-2-4-6-7;1-4-2-3-6-5-4;1-2/h2-6H,1H3;2-3H2,1H3;1-2H3
InChIKeyQDLVTEWVDKTPHB-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.80
Rot. Bonds

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

ethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene (PubChem CID 143617792) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene.

Molecular Properties

Compound Nameethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene
PubChem CID143617792
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene
SMILESCC.CC1=NOCC1.Cc1ccccc1
InChIInChI=1S/C7H8.C4H7NO.C2H6/c1-7-5-3-2-4-6-7;1-4-2-3-6-5-4;1-2/h2-6H,1H3;2-3H2,1H3;1-2H3
InChIKeyQDLVTEWVDKTPHB-UHFFFAOYSA-N
XLogP3.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene?
The IUPAC name of ethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene (CID 143617792) is ethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene.
What is the SMILES notation for ethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene?
The canonical SMILES for ethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene is CC.CC1=NOCC1.Cc1ccccc1.
What is the InChIKey of ethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene?
The InChIKey is QDLVTEWVDKTPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H7NO.C2H6/c1-7-5-3-2-4-6-7;1-4-2-3-6-5-4;1-2/h2-6H,1H3;2-3H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene?
ethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene has a molecular weight of 207.32 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene is sourced from PubChem (CID 143617792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).