(5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole

C5H9NO — CID 59965917

IUPAC(5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](C)C1
InChIInChI=1S/C5H9NO/c1-4-3-5(2)7-6-4/h5H,3H2,1-2H3/t5-/m0/s1
InChIKeyJXOVTPNBOKLRHT-YFKPBYRVSA-N
MW99.13 g/mol
LogP1.17
Rot. Bonds

About (5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole

(5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole (PubChem CID 59965917) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole
PubChem CID59965917
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](C)C1
InChIInChI=1S/C5H9NO/c1-4-3-5(2)7-6-4/h5H,3H2,1-2H3/t5-/m0/s1
InChIKeyJXOVTPNBOKLRHT-YFKPBYRVSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Acetone, O-isopropyloxime
CID 12696236
5-(Bromomethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 85968587
3,5-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12228202
Methylisoxazoline
CID 12959090
5-Methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 20691962
Isoxazole, 4,5-dihydro-3-methyl-5-(trifluoromethyl)-
CID 59168906
(5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 89225275
(5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 142079595
5-(Difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 142566225
5-(Fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 142566381
pentan-3-one O-ethyloxime
CID 20642399
(4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
CID 12794212

Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole (CID 59965917) is (5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole is CC1=NO[C@@H](C)C1.
What is the InChIKey of (5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is JXOVTPNBOKLRHT-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9NO/c1-4-3-5(2)7-6-4/h5H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole?
(5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 99.13 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 59965917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).