1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone

C7H11NO2 — CID 13024410

IUPAC1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)[C@@H]1OC(C)=N[C@@H]1C
InChIInChI=1S/C7H11NO2/c1-4-7(5(2)9)10-6(3)8-4/h4,7H,1-3H3/t4-,7-/m1/s1
InChIKeyVRBSXFILZHLENE-CLZZGJSISA-N
MW141.17 g/mol
LogP0.78
Rot. Bonds1

About 1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone

1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone (PubChem CID 13024410) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone
PubChem CID13024410
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)[C@@H]1OC(C)=N[C@@H]1C
InChIInChI=1S/C7H11NO2/c1-4-7(5(2)9)10-6(3)8-4/h4,7H,1-3H3/t4-,7-/m1/s1
InChIKeyVRBSXFILZHLENE-CLZZGJSISA-N
XLogP0.78
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4S,5S)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone
CID 23260942
1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone
CID 12524250
1-(2,5-dimethyl-4,5-dihydro-1,3-oxazol-4-yl)ethanone
CID 89210517
5-acetyl-4-methyloxolan-2-one
CID 14713998
1-[(2S,3S,4R,5R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]ethanone
CID 164998212
2-methyl-5-penta-1,4-dien-2-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 67939249
1-[(4S,5S)-2,4,5-trimethyl-4H-1,3-oxazol-5-yl]ethanone
CID 93498499
ethyl 4-hexyl-2-methyl-4,5-dihydro-1,3-oxazole-5-carboxylate
CID 11834585
[(7S)-2,6,7-trimethyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-8-yl] acetate
CID 163894504
1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone
CID 10261355
1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone
CID 59930804
5-cyclopentyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 115059906

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone (CID 13024410) is 1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone is CC(=O)[C@@H]1OC(C)=N[C@@H]1C.
What is the InChIKey of 1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone?
The InChIKey is VRBSXFILZHLENE-CLZZGJSISA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-7(5(2)9)10-6(3)8-4/h4,7H,1-3H3/t4-,7-/m1/s1.
What are the key properties of 1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone?
1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone has a molecular weight of 141.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5R)-2,4-dimethyl-4,5-dihydro-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 13024410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).