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

C5H9NO — CID 12959091

IUPAC3,4-dimethyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOCC1C
InChIInChI=1S/C5H9NO/c1-4-3-7-6-5(4)2/h4H,3H2,1-2H3
InChIKeyXTWZTMCUZHPTHD-UHFFFAOYSA-N
MW99.13 g/mol
LogP1.03
Rot. Bonds

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

3,4-dimethyl-4,5-dihydro-1,2-oxazole (PubChem CID 12959091) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 3,4-dimethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3,4-dimethyl-4,5-dihydro-1,2-oxazole
PubChem CID12959091
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name3,4-dimethyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOCC1C
InChIInChI=1S/C5H9NO/c1-4-3-7-6-5(4)2/h4H,3H2,1-2H3
InChIKeyXTWZTMCUZHPTHD-UHFFFAOYSA-N
XLogP1.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3,4-dimethyl-4,5-dihydro-1,2-oxazole (CID 12959091) is 3,4-dimethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3,4-dimethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3,4-dimethyl-4,5-dihydro-1,2-oxazole is CC1=NOCC1C.
What is the InChIKey of 3,4-dimethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is XTWZTMCUZHPTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-4-3-7-6-5(4)2/h4H,3H2,1-2H3.
What are the key properties of 3,4-dimethyl-4,5-dihydro-1,2-oxazole?
3,4-dimethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 99.13 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 12959091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).