ethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate

C14H13NO6 — CID 58345538

IUPACethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate
SMILESCCOC(=O)c1cc(OC)c(O)cc1C(=O)c1ccno1
InChIInChI=1S/C14H13NO6/c1-3-20-14(18)9-7-12(19-2)10(16)6-8(9)13(17)11-4-5-15-21-11/h4-7,16H,3H2,1-2H3
InChIKeyMTMQQVPCEHCBQK-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.80
Rot. Bonds5

About ethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate

ethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate (PubChem CID 58345538) has the molecular formula C14H13NO6 and a molecular weight of 291.26 g/mol. Its IUPAC name is ethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate.

Molecular Properties

Compound Nameethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate
PubChem CID58345538
Molecular FormulaC14H13NO6
Molecular Weight291.26 g/mol
Exact Mass291.07
IUPAC Nameethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate
SMILESCCOC(=O)c1cc(OC)c(O)cc1C(=O)c1ccno1
InChIInChI=1S/C14H13NO6/c1-3-20-14(18)9-7-12(19-2)10(16)6-8(9)13(17)11-4-5-15-21-11/h4-7,16H,3H2,1-2H3
InChIKeyMTMQQVPCEHCBQK-UHFFFAOYSA-N
XLogP1.80
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate?
The IUPAC name of ethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate (CID 58345538) is ethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate.
What is the SMILES notation for ethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate?
The canonical SMILES for ethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate is CCOC(=O)c1cc(OC)c(O)cc1C(=O)c1ccno1.
What is the InChIKey of ethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate?
The InChIKey is MTMQQVPCEHCBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO6/c1-3-20-14(18)9-7-12(19-2)10(16)6-8(9)13(17)11-4-5-15-21-11/h4-7,16H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate?
ethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate has a molecular weight of 291.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate is sourced from PubChem (CID 58345538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).