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

C7H15NO — CID 145441175

IUPAC2,4-dimethyl-2,3-dihydro-1,3-oxazole;ethane
SMILESCC.CC1=COC(C)N1
InChIInChI=1S/C5H9NO.C2H6/c1-4-3-7-5(2)6-4;1-2/h3,5-6H,1-2H3;1-2H3
InChIKeyNHJVVRQPYLIXSC-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.84
Rot. Bonds

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

2,4-dimethyl-2,3-dihydro-1,3-oxazole;ethane (PubChem CID 145441175) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2,4-dimethyl-2,3-dihydro-1,3-oxazole;ethane.

Molecular Properties

Compound Name2,4-dimethyl-2,3-dihydro-1,3-oxazole;ethane
PubChem CID145441175
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2,4-dimethyl-2,3-dihydro-1,3-oxazole;ethane
SMILESCC.CC1=COC(C)N1
InChIInChI=1S/C5H9NO.C2H6/c1-4-3-7-5(2)6-4;1-2/h3,5-6H,1-2H3;1-2H3
InChIKeyNHJVVRQPYLIXSC-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 2,4-dimethyl-2,3-dihydro-1,3-oxazole;ethane?
The IUPAC name of 2,4-dimethyl-2,3-dihydro-1,3-oxazole;ethane (CID 145441175) is 2,4-dimethyl-2,3-dihydro-1,3-oxazole;ethane.
What is the SMILES notation for 2,4-dimethyl-2,3-dihydro-1,3-oxazole;ethane?
The canonical SMILES for 2,4-dimethyl-2,3-dihydro-1,3-oxazole;ethane is CC.CC1=COC(C)N1.
What is the InChIKey of 2,4-dimethyl-2,3-dihydro-1,3-oxazole;ethane?
The InChIKey is NHJVVRQPYLIXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C2H6/c1-4-3-7-5(2)6-4;1-2/h3,5-6H,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-2,3-dihydro-1,3-oxazole;ethane?
2,4-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 2,4-dimethyl-2,3-dihydro-1,3-oxazole;ethane is sourced from PubChem (CID 145441175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).