ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate

C14H15NO4 — CID 10879854

IUPACethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)noc1C
InChIInChI=1S/C14H15NO4/c1-4-18-14(16)12-9(2)19-15-13(12)10-5-7-11(17-3)8-6-10/h5-8H,4H2,1-3H3
InChIKeyMUYXCIVUXOZRPE-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.84
Rot. Bonds4

About ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate

ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 10879854) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID10879854
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)noc1C
InChIInChI=1S/C14H15NO4/c1-4-18-14(16)12-9(2)19-15-13(12)10-5-7-11(17-3)8-6-10/h5-8H,4H2,1-3H3
InChIKeyMUYXCIVUXOZRPE-UHFFFAOYSA-N
XLogP2.84
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate (CID 10879854) is ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2ccc(OC)cc2)noc1C.
What is the InChIKey of ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is MUYXCIVUXOZRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-4-18-14(16)12-9(2)19-15-13(12)10-5-7-11(17-3)8-6-10/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate?
ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 10879854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).