methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate

C14H15NO5 — CID 129243235

IUPACmethyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate
SMILESCCOC(=O)C(C)c1nc2cc(C(=O)OC)ccc2o1
InChIInChI=1S/C14H15NO5/c1-4-19-13(16)8(2)12-15-10-7-9(14(17)18-3)5-6-11(10)20-12/h5-8H,4H2,1-3H3
InChIKeySTGFFQODBRMUKO-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.28
Rot. Bonds4

About methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate

methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate (PubChem CID 129243235) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate
PubChem CID129243235
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Namemethyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate
SMILESCCOC(=O)C(C)c1nc2cc(C(=O)OC)ccc2o1
InChIInChI=1S/C14H15NO5/c1-4-19-13(16)8(2)12-15-10-7-9(14(17)18-3)5-6-11(10)20-12/h5-8H,4H2,1-3H3
InChIKeySTGFFQODBRMUKO-UHFFFAOYSA-N
XLogP2.28
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(ethylaminomethyl)-1,3-benzoxazole-5-carboxylate
CID 83949095
ethyl 2-bromo-1,3-benzoxazole-5-carboxylate
CID 131612632
ethyl 2-ethyl-1,3-benzoxazole-5-carboxylate
CID 1214797
methyl 2-(bromomethyl)-1,3-benzoxazole-5-carboxylate
CID 19917455
methyl 2-(2,6-dimethylphenyl)-1,3-benzoxazole-5-carboxylate
CID 142739912
ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate
CID 117412349
methyl 2-methylperoxy-1,3-benzoxazole-5-carboxylate
CID 59027145
methyl 2-(tert-butylamino)-1,3-benzoxazole-5-carboxylate
CID 71657876
ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
CID 166475762
methyl 2-[4-(bromomethyl)phenyl]-1,3-benzoxazole-5-carboxylate
CID 23459189
methyl 2-(diethoxymethyl)-1-benzofuran-5-carboxylate
CID 22481762
ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110388051

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate?
The IUPAC name of methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate (CID 129243235) is methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate is CCOC(=O)C(C)c1nc2cc(C(=O)OC)ccc2o1.
What is the InChIKey of methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate?
The InChIKey is STGFFQODBRMUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-4-19-13(16)8(2)12-15-10-7-9(14(17)18-3)5-6-11(10)20-12/h5-8H,4H2,1-3H3.
What are the key properties of methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate?
methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate is sourced from PubChem (CID 129243235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).