ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate

C19H16FNO4 — CID 44819362

IUPACethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OCc3cccc(F)c3)c2)on1
InChIInChI=1S/C19H16FNO4/c1-2-23-19(22)17-11-18(25-21-17)14-6-4-8-16(10-14)24-12-13-5-3-7-15(20)9-13/h3-11H,2,12H2,1H3
InChIKeyOCYSTMGTEUIMFQ-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.24
Rot. Bonds6

About ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate

ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate (PubChem CID 44819362) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
PubChem CID44819362
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Nameethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OCc3cccc(F)c3)c2)on1
InChIInChI=1S/C19H16FNO4/c1-2-23-19(22)17-11-18(25-21-17)14-6-4-8-16(10-14)24-12-13-5-3-7-15(20)9-13/h3-11H,2,12H2,1H3
InChIKeyOCYSTMGTEUIMFQ-UHFFFAOYSA-N
XLogP4.24
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
CID 44819890
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate
CID 44818827
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
ethyl 5-[[3-(trifluoromethylsulfanyl)phenoxy]methyl]-1,2-oxazole-3-carboxylate
CID 90325851
2-[3-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068064
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
ethyl 5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 66759309
ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
CID 110359980
diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232497
ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 24773533

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate (CID 44819362) is ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(OCc3cccc(F)c3)c2)on1.
What is the InChIKey of ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is OCYSTMGTEUIMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-2-23-19(22)17-11-18(25-21-17)14-6-4-8-16(10-14)24-12-13-5-3-7-15(20)9-13/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 341.34 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44819362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).