ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate

C17H14FNO4 — CID 13392297

IUPACethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccoc1
InChIInChI=1S/C17H14FNO4/c1-2-22-15(20)9-14-16(12-7-8-21-10-12)23-17(19-14)11-3-5-13(18)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeyLWRWJGOYTAIFDQ-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.85
Rot. Bonds5

About ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate

ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate (PubChem CID 13392297) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate
PubChem CID13392297
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Nameethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccoc1
InChIInChI=1S/C17H14FNO4/c1-2-22-15(20)9-14-16(12-7-8-21-10-12)23-17(19-14)11-3-5-13(18)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeyLWRWJGOYTAIFDQ-UHFFFAOYSA-N
XLogP3.85
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(4-fluorophenyl)-5-(5-formyl-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetate
CID 59384959
ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate
CID 59385171
ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 13105457
ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate
CID 102588150
ethyl 2-[5-(4-chloro-3-fluorophenyl)-2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-oxazol-4-yl]acetate
CID 59384662
methyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate
CID 142178792
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-fluorophenyl)acetate
CID 16588798
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110611766
ethyl 2-[5-(1-methylcyclohexa-2,4-dien-1-yl)-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetate
CID 142178798
2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid
CID 59384660
3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82131267
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate (CID 13392297) is ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate is CCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccoc1.
What is the InChIKey of ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate?
The InChIKey is LWRWJGOYTAIFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c1-2-22-15(20)9-14-16(12-7-8-21-10-12)23-17(19-14)11-3-5-13(18)6-4-11/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate?
ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate has a molecular weight of 315.30 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 13392297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).