2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole

C12H21NO2 — CID 101212518

IUPAC2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCC[C@@]1(C)O[C@@]1(C)C1=NC(C)(C)CO1
InChIInChI=1S/C12H21NO2/c1-6-7-11(4)12(5,15-11)9-13-10(2,3)8-14-9/h6-8H2,1-5H3/t11-,12+/m1/s1
InChIKeyGJGDUMGOYOAJJP-NEPJUHHUSA-N
MW211.30 g/mol
LogP2.54
Rot. Bonds3

About 2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 101212518) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID101212518
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCC[C@@]1(C)O[C@@]1(C)C1=NC(C)(C)CO1
InChIInChI=1S/C12H21NO2/c1-6-7-11(4)12(5,15-11)9-13-10(2,3)8-14-9/h6-8H2,1-5H3/t11-,12+/m1/s1
InChIKeyGJGDUMGOYOAJJP-NEPJUHHUSA-N
XLogP2.54
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole
CID 71426920
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one
CID 143195353
2-[2-ethyl-3,3-bis(3-nitrophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 101202534
1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone
CID 161078279
4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole
CID 86092664
2-henicosan-11-yl-4,4-dimethyl-5H-1,3-oxazole
CID 13410462
2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole
CID 3041075
4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole
CID 86092698
O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 142932736
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766
2-[(E)-heptadec-8-enyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370405

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 101212518) is 2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole is CCC[C@@]1(C)O[C@@]1(C)C1=NC(C)(C)CO1.
What is the InChIKey of 2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is GJGDUMGOYOAJJP-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H21NO2/c1-6-7-11(4)12(5,15-11)9-13-10(2,3)8-14-9/h6-8H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of 2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 211.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 101212518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).