4,5-dimethyl-2,3-dihydro-1,3-oxazole;molecular hydrogen

C5H11NO — CID 144939794

IUPAC4,5-dimethyl-2,3-dihydro-1,3-oxazole;molecular hydrogen
SMILESCC1=C(C)OCN1.[H][H]
InChIInChI=1S/C5H9NO.H2/c1-4-5(2)7-3-6-4;/h6H,3H2,1-2H3;1H
InChIKeyXIOUMIQLZWKPQN-UHFFFAOYSA-N
MW101.15 g/mol
LogP1.06
Rot. Bonds

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

4,5-dimethyl-2,3-dihydro-1,3-oxazole;molecular hydrogen (PubChem CID 144939794) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydro-1,3-oxazole;molecular hydrogen.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydro-1,3-oxazole;molecular hydrogen
PubChem CID144939794
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name4,5-dimethyl-2,3-dihydro-1,3-oxazole;molecular hydrogen
SMILESCC1=C(C)OCN1.[H][H]
InChIInChI=1S/C5H9NO.H2/c1-4-5(2)7-3-6-4;/h6H,3H2,1-2H3;1H
InChIKeyXIOUMIQLZWKPQN-UHFFFAOYSA-N
XLogP1.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.06
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;molecular hydrogen?
The IUPAC name of 4,5-dimethyl-2,3-dihydro-1,3-oxazole;molecular hydrogen (CID 144939794) is 4,5-dimethyl-2,3-dihydro-1,3-oxazole;molecular hydrogen.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydro-1,3-oxazole;molecular hydrogen?
The canonical SMILES for 4,5-dimethyl-2,3-dihydro-1,3-oxazole;molecular hydrogen is CC1=C(C)OCN1.[H][H].
What is the InChIKey of 4,5-dimethyl-2,3-dihydro-1,3-oxazole;molecular hydrogen?
The InChIKey is XIOUMIQLZWKPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.H2/c1-4-5(2)7-3-6-4;/h6H,3H2,1-2H3;1H.
What are the key properties of 4,5-dimethyl-2,3-dihydro-1,3-oxazole;molecular hydrogen?
4,5-dimethyl-2,3-dihydro-1,3-oxazole;molecular hydrogen has a molecular weight of 101.15 g/mol, XLogP of 1.06, 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;molecular hydrogen is sourced from PubChem (CID 144939794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).