methyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate

C13H15NO5 — CID 102490672

IUPACmethyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate
SMILESCOC(=O)CC1(C(=O)OC)c2ccccc2ON1C
InChIInChI=1S/C13H15NO5/c1-14-13(12(16)18-3,8-11(15)17-2)9-6-4-5-7-10(9)19-14/h4-7H,8H2,1-3H3
InChIKeyRFTMNNUJUXJLSV-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.86
Rot. Bonds3

About methyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate

methyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate (PubChem CID 102490672) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is methyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate
PubChem CID102490672
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namemethyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate
SMILESCOC(=O)CC1(C(=O)OC)c2ccccc2ON1C
InChIInChI=1S/C13H15NO5/c1-14-13(12(16)18-3,8-11(15)17-2)9-6-4-5-7-10(9)19-14/h4-7H,8H2,1-3H3
InChIKeyRFTMNNUJUXJLSV-UHFFFAOYSA-N
XLogP0.86
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate?
The IUPAC name of methyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate (CID 102490672) is methyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate?
The canonical SMILES for methyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate is COC(=O)CC1(C(=O)OC)c2ccccc2ON1C.
What is the InChIKey of methyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate?
The InChIKey is RFTMNNUJUXJLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-14-13(12(16)18-3,8-11(15)17-2)9-6-4-5-7-10(9)19-14/h4-7H,8H2,1-3H3.
What are the key properties of methyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate?
methyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate has a molecular weight of 265.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxy-2-oxoethyl)-2-methyl-1,2-benzoxazole-3-carboxylate is sourced from PubChem (CID 102490672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).