ethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate

C14H15NO4 — CID 90326175

IUPACethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COCc2ccccc2)on1
InChIInChI=1S/C14H15NO4/c1-2-18-14(16)13-8-12(19-15-13)10-17-9-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3
InChIKeyHNIKIWUOAYSIGC-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.57
Rot. Bonds6

About ethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate

ethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate (PubChem CID 90326175) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate
PubChem CID90326175
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COCc2ccccc2)on1
InChIInChI=1S/C14H15NO4/c1-2-18-14(16)13-8-12(19-15-13)10-17-9-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3
InChIKeyHNIKIWUOAYSIGC-UHFFFAOYSA-N
XLogP2.57
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate (CID 90326175) is ethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(COCc2ccccc2)on1.
What is the InChIKey of ethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate?
The InChIKey is HNIKIWUOAYSIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-18-14(16)13-8-12(19-15-13)10-17-9-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3.
What are the key properties of ethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 90326175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).