ethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

C19H18FNO4 — CID 25270954

IUPACethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NOC(c2ccc(-c3ccc(OC)c(F)c3)cc2)C1
InChIInChI=1S/C19H18FNO4/c1-3-24-19(22)16-11-18(25-21-16)13-6-4-12(5-7-13)14-8-9-17(23-2)15(20)10-14/h4-10,18H,3,11H2,1-2H3
InChIKeyGGWPYQSSGFGWGB-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.88
Rot. Bonds5

About ethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

ethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 25270954) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is ethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID25270954
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Nameethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NOC(c2ccc(-c3ccc(OC)c(F)c3)cc2)C1
InChIInChI=1S/C19H18FNO4/c1-3-24-19(22)16-11-18(25-21-16)13-6-4-12(5-7-13)14-8-9-17(23-2)15(20)10-14/h4-10,18H,3,11H2,1-2H3
InChIKeyGGWPYQSSGFGWGB-UHFFFAOYSA-N
XLogP3.88
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate (CID 25270954) is ethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=NOC(c2ccc(-c3ccc(OC)c(F)c3)cc2)C1.
What is the InChIKey of ethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is GGWPYQSSGFGWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-3-24-19(22)16-11-18(25-21-16)13-6-4-12(5-7-13)14-8-9-17(23-2)15(20)10-14/h4-10,18H,3,11H2,1-2H3.
What are the key properties of ethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
ethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 343.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 25270954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).