ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate

C11H16ClNO4 — CID 139530962

IUPACethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate
SMILESCCOC(=O)C(c1onc(OC)c1Cl)C(C)C
InChIInChI=1S/C11H16ClNO4/c1-5-16-11(14)7(6(2)3)9-8(12)10(15-4)13-17-9/h6-7H,5H2,1-4H3
InChIKeyLYHWGFDRTLGRMA-UHFFFAOYSA-N
MW261.70 g/mol
LogP2.64
Rot. Bonds5

About ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate

ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate (PubChem CID 139530962) has the molecular formula C11H16ClNO4 and a molecular weight of 261.70 g/mol. Its IUPAC name is ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate
PubChem CID139530962
Molecular FormulaC11H16ClNO4
Molecular Weight261.70 g/mol
Exact Mass261.08
IUPAC Nameethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate
SMILESCCOC(=O)C(c1onc(OC)c1Cl)C(C)C
InChIInChI=1S/C11H16ClNO4/c1-5-16-11(14)7(6(2)3)9-8(12)10(15-4)13-17-9/h6-7H,5H2,1-4H3
InChIKeyLYHWGFDRTLGRMA-UHFFFAOYSA-N
XLogP2.64
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate;ethyl 2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate
CID 158866191
ethyl 3-methyl-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79481673
ethyl 3-methyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 79475145
ethyl 3-methyl-2-[3-(3-oxopropyl)-1,2-oxazol-5-yl]butanoate
CID 166459338
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 116808604
4-chloro-3-(2,2-diethoxyethoxy)-5-(1-methoxy-3-methylbutan-2-yl)-1,2-oxazole
CID 146340049
ethyl 2-(2,5-dichlorophenyl)-3-methylbutanoate
CID 55195804
ethyl 2-(3-fluoro-5-methylphenyl)-3-methylbutanoate
CID 79690318
ethyl 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methylbutanoate
CID 79481197
ethyl 3-methyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79481020
ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate
CID 118956093

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate?
The IUPAC name of ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate (CID 139530962) is ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate.
What is the SMILES notation for ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate?
The canonical SMILES for ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate is CCOC(=O)C(c1onc(OC)c1Cl)C(C)C.
What is the InChIKey of ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate?
The InChIKey is LYHWGFDRTLGRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4/c1-5-16-11(14)7(6(2)3)9-8(12)10(15-4)13-17-9/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate?
ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate has a molecular weight of 261.70 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate is sourced from PubChem (CID 139530962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).