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

C6H11NO2 — CID 89224807

IUPAC(5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCOC[C@@H]1CC(C)=NO1
InChIInChI=1S/C6H11NO2/c1-5-3-6(4-8-2)9-7-5/h6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyPXKKRXFNYWYAAB-LURJTMIESA-N
MW129.16 g/mol
LogP0.80
Rot. Bonds2

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

(5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 89224807) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID89224807
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCOC[C@@H]1CC(C)=NO1
InChIInChI=1S/C6H11NO2/c1-5-3-6(4-8-2)9-7-5/h6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyPXKKRXFNYWYAAB-LURJTMIESA-N
XLogP0.80
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12228202
(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl acetate
CID 12255531
3-Ethyl-5-methyl-4,5-dihydro-1,2-oxazole
CID 14401180
(NE)-N-(2-methoxycyclopentylidene)hydroxylamine
CID 14764764
O-(3-methyl-4,5-dihydro-isoxazol-5-ylmethyl)-hydroxylamine
CID 25137672
2-[(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol
CID 58965088
3-Methyl-5-(oxiran-2-ylmethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 58965089
(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate
CID 58965109
3-Methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole
CID 58965110
CID 59694525
CID 59694525
5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium
CID 59729894
(5S)-3,5-dimethyl-4,5-dihydro-1,2-oxazole
CID 59965917

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole (CID 89224807) is (5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole is COC[C@@H]1CC(C)=NO1.
What is the InChIKey of (5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is PXKKRXFNYWYAAB-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO2/c1-5-3-6(4-8-2)9-7-5/h6H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
(5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 129.16 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 89224807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).