[(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

C12H17NO4 — CID 94870790

IUPAC[(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCCC(=O)[C@@H](C)OC(=O)Cc1c(C)noc1C
InChIInChI=1S/C12H17NO4/c1-5-11(14)9(4)16-12(15)6-10-7(2)13-17-8(10)3/h9H,5-6H2,1-4H3/t9-/m1/s1
InChIKeyLNSWUMJZCVVPTH-SECBINFHSA-N
MW239.27 g/mol
LogP1.74
Rot. Bonds5

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

[(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (PubChem CID 94870790) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is [(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.

Molecular Properties

Compound Name[(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
PubChem CID94870790
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name[(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCCC(=O)[C@@H](C)OC(=O)Cc1c(C)noc1C
InChIInChI=1S/C12H17NO4/c1-5-11(14)9(4)16-12(15)6-10-7(2)13-17-8(10)3/h9H,5-6H2,1-4H3/t9-/m1/s1
InChIKeyLNSWUMJZCVVPTH-SECBINFHSA-N
XLogP1.74
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 51874762
3-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-2-one
CID 82407822
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 55423565
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 43034437
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid
CID 104875222
(2S,3S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-methylpentanoic acid
CID 61136424
[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 43015363
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
CID 92845870
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide
CID 78847325
[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 42978887
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 26010113
ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate
CID 61008485

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The IUPAC name of [(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (CID 94870790) is [(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.
What is the SMILES notation for [(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The canonical SMILES for [(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is CCC(=O)[C@@H](C)OC(=O)Cc1c(C)noc1C.
What is the InChIKey of [(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The InChIKey is LNSWUMJZCVVPTH-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO4/c1-5-11(14)9(4)16-12(15)6-10-7(2)13-17-8(10)3/h9H,5-6H2,1-4H3/t9-/m1/s1.
What are the key properties of [(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
[(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate has a molecular weight of 239.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is sourced from PubChem (CID 94870790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).