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

C7H15NO — CID 90876333

IUPAC4,5-dimethyl-2,3-dihydro-1,3-oxazole;ethane
SMILESCC.CC1=C(C)OCN1
InChIInChI=1S/C5H9NO.C2H6/c1-4-5(2)7-3-6-4;1-2/h6H,3H2,1-2H3;1-2H3
InChIKeySIRVHAKOCFQWHA-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.84
Rot. Bonds

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

4,5-dimethyl-2,3-dihydro-1,3-oxazole;ethane (PubChem CID 90876333) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydro-1,3-oxazole;ethane.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydro-1,3-oxazole;ethane
PubChem CID90876333
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4,5-dimethyl-2,3-dihydro-1,3-oxazole;ethane
SMILESCC.CC1=C(C)OCN1
InChIInChI=1S/C5H9NO.C2H6/c1-4-5(2)7-3-6-4;1-2/h6H,3H2,1-2H3;1-2H3
InChIKeySIRVHAKOCFQWHA-UHFFFAOYSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydro-1,3-oxazole;ethane?
The IUPAC name of 4,5-dimethyl-2,3-dihydro-1,3-oxazole;ethane (CID 90876333) is 4,5-dimethyl-2,3-dihydro-1,3-oxazole;ethane.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydro-1,3-oxazole;ethane?
The canonical SMILES for 4,5-dimethyl-2,3-dihydro-1,3-oxazole;ethane is CC.CC1=C(C)OCN1.
What is the InChIKey of 4,5-dimethyl-2,3-dihydro-1,3-oxazole;ethane?
The InChIKey is SIRVHAKOCFQWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C2H6/c1-4-5(2)7-3-6-4;1-2/h6H,3H2,1-2H3;1-2H3.
What are the key properties of 4,5-dimethyl-2,3-dihydro-1,3-oxazole;ethane?
4,5-dimethyl-2,3-dihydro-1,3-oxazole;ethane has a molecular weight of 129.20 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydro-1,3-oxazole;ethane is sourced from PubChem (CID 90876333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).