2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid

C12H11NO6 — CID 118814574

IUPAC2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid
SMILESCCOC(=O)c1cccc2nc(C(O)C(=O)O)oc12
InChIInChI=1S/C12H11NO6/c1-2-18-12(17)6-4-3-5-7-9(6)19-10(13-7)8(14)11(15)16/h3-5,8,14H,2H2,1H3,(H,15,16)
InChIKeyQZQDCJMFQOFRCQ-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.12
Rot. Bonds4

About 2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid

2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid (PubChem CID 118814574) has the molecular formula C12H11NO6 and a molecular weight of 265.22 g/mol. Its IUPAC name is 2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid
PubChem CID118814574
Molecular FormulaC12H11NO6
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid
SMILESCCOC(=O)c1cccc2nc(C(O)C(=O)O)oc12
InChIInChI=1S/C12H11NO6/c1-2-18-12(17)6-4-3-5-7-9(6)19-10(13-7)8(14)11(15)16/h3-5,8,14H,2H2,1H3,(H,15,16)
InChIKeyQZQDCJMFQOFRCQ-UHFFFAOYSA-N
XLogP1.12
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl phenazine-1,6-dicarboxylate
CID 71514835
ethyl 2-(2-methyl-1,3-benzoxazol-7-yl)-2-oxoacetate
CID 117337566
2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid
CID 118803300
ethyl 2-[6-[2,6-di(propan-2-yl)anilino]-6-oxohexyl]sulfanyl-1,3-benzoxazole-7-carboxylate
CID 22666115
ethyl 7-bromo-1,3-benzoxazole-2-carboxylate
CID 130133419
ethyl 2-methyl-1,3-benzothiazole-7-carboxylate
CID 135397113
ethyl 3,4-difluoroquinoline-2-carboxylate
CID 175398160
ethyl 2H-benzotriazole-4-carboxylate
CID 14534407
ethyl 4-oxochromene-8-carboxylate
CID 19972367
2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid
CID 131560223
ethyl dibenzofuran-1-carboxylate
CID 11858911
2-(2-ethoxyethyl)-1,3-benzoxazole-7-carboxylic acid
CID 81346504

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid (CID 118814574) is 2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid is CCOC(=O)c1cccc2nc(C(O)C(=O)O)oc12.
What is the InChIKey of 2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid?
The InChIKey is QZQDCJMFQOFRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO6/c1-2-18-12(17)6-4-3-5-7-9(6)19-10(13-7)8(14)11(15)16/h3-5,8,14H,2H2,1H3,(H,15,16).
What are the key properties of 2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid?
2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid has a molecular weight of 265.22 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 118814574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).