methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate

C7H8ClNO3 — CID 119027003

IUPACmethyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate
SMILESCOC(=O)Cc1c(C)noc1Cl
InChIInChI=1S/C7H8ClNO3/c1-4-5(3-6(10)11-2)7(8)12-9-4/h3H2,1-2H3
InChIKeyJJJOJGNRPOPLCA-UHFFFAOYSA-N
MW189.60 g/mol
LogP1.35
Rot. Bonds2

About methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate

methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate (PubChem CID 119027003) has the molecular formula C7H8ClNO3 and a molecular weight of 189.60 g/mol. Its IUPAC name is methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate
PubChem CID119027003
Molecular FormulaC7H8ClNO3
Molecular Weight189.60 g/mol
Exact Mass189.02
IUPAC Namemethyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate
SMILESCOC(=O)Cc1c(C)noc1Cl
InChIInChI=1S/C7H8ClNO3/c1-4-5(3-6(10)11-2)7(8)12-9-4/h3H2,1-2H3
InChIKeyJJJOJGNRPOPLCA-UHFFFAOYSA-N
XLogP1.35
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)acetate
CID 162373149
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95625932
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111461266
methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate
CID 43407679
methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate
CID 54979990
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide
CID 56826665
methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate
CID 129318972
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
CID 111485507
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-(4,4-diethylazepan-1-yl)ethanone
CID 126766318
methyl 2-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)acetate
CID 84613491
methyl 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381106
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide
CID 95597089

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate?
The IUPAC name of methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate (CID 119027003) is methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate?
The canonical SMILES for methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate is COC(=O)Cc1c(C)noc1Cl.
What is the InChIKey of methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate?
The InChIKey is JJJOJGNRPOPLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3/c1-4-5(3-6(10)11-2)7(8)12-9-4/h3H2,1-2H3.
What are the key properties of methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate?
methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate has a molecular weight of 189.60 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate is sourced from PubChem (CID 119027003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).