ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate

C14H15NO4 — CID 55037618

IUPACethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C(OC)c1ccccc1
InChIInChI=1S/C14H15NO4/c1-3-18-14(16)11-13(19-9-15-11)12(17-2)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3
InChIKeyPZUHBVHYFUPYRO-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.59
Rot. Bonds5

About ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate

ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate (PubChem CID 55037618) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate
PubChem CID55037618
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C(OC)c1ccccc1
InChIInChI=1S/C14H15NO4/c1-3-18-14(16)11-13(19-9-15-11)12(17-2)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3
InChIKeyPZUHBVHYFUPYRO-UHFFFAOYSA-N
XLogP2.59
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid
CID 46839934
benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 170414122
ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate
CID 102972511
ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
CID 168859081
ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46942091
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 4712684
ethyl 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 116744216
ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 107099722
ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate
CID 175523587
ethyl 5-(2,3,4-trifluorophenyl)-1,3-oxazole-4-carboxylate
CID 79755764
ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 10846618

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate (CID 55037618) is ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1C(OC)c1ccccc1.
What is the InChIKey of ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is PZUHBVHYFUPYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-18-14(16)11-13(19-9-15-11)12(17-2)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3.
What are the key properties of ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate?
ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 55037618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).