2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium

C5H10NO+ — CID 173021539

IUPAC2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium
SMILESCC1=C[NH+](C)OC1
InChIInChI=1S/C5H9NO/c1-5-3-6(2)7-4-5/h3H,4H2,1-2H3/p+1
InChIKeyVAOQCAUDRYEVNU-UHFFFAOYSA-O
MW100.14 g/mol
LogP-0.65
Rot. Bonds

About 2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium

2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium (PubChem CID 173021539) has the molecular formula C5H10NO+ and a molecular weight of 100.14 g/mol. Its IUPAC name is 2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium.

Molecular Properties

Compound Name2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium
PubChem CID173021539
Molecular FormulaC5H10NO+
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Name2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium
SMILESCC1=C[NH+](C)OC1
InChIInChI=1S/C5H9NO/c1-5-3-6(2)7-4-5/h3H,4H2,1-2H3/p+1
InChIKeyVAOQCAUDRYEVNU-UHFFFAOYSA-O
XLogP-0.65
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 145629993
CID 145629993
CID 58555141
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CID 59592039
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CID 76828447
CID 76828447

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium?
The IUPAC name of 2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium (CID 173021539) is 2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium.
What is the SMILES notation for 2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium?
The canonical SMILES for 2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium is CC1=C[NH+](C)OC1.
What is the InChIKey of 2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium?
The InChIKey is VAOQCAUDRYEVNU-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9NO/c1-5-3-6(2)7-4-5/h3H,4H2,1-2H3/p+1.
What are the key properties of 2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium?
2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium has a molecular weight of 100.14 g/mol, XLogP of -0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,5-dihydro-1,2-oxazol-2-ium is sourced from PubChem (CID 173021539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).