ethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate

C19H16FN3O4 — CID 51699165

IUPACethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate
SMILESCCOC(=O)[C@H](NC(=O)c1ccccc1)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H16FN3O4/c1-2-26-19(25)15(21-16(24)12-6-4-3-5-7-12)18-23-22-17(27-18)13-8-10-14(20)11-9-13/h3-11,15H,2H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyUKLBHPBTTUQIGR-OAHLLOKOSA-N
MW369.35 g/mol
LogP2.91
Rot. Bonds6

About ethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate

ethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate (PubChem CID 51699165) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is ethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate
PubChem CID51699165
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Nameethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate
SMILESCCOC(=O)[C@H](NC(=O)c1ccccc1)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H16FN3O4/c1-2-26-19(25)15(21-16(24)12-6-4-3-5-7-12)18-23-22-17(27-18)13-8-10-14(20)11-9-13/h3-11,15H,2H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyUKLBHPBTTUQIGR-OAHLLOKOSA-N
XLogP2.91
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate?
The IUPAC name of ethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate (CID 51699165) is ethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate.
What is the SMILES notation for ethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate?
The canonical SMILES for ethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate is CCOC(=O)[C@H](NC(=O)c1ccccc1)c1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of ethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate?
The InChIKey is UKLBHPBTTUQIGR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-2-26-19(25)15(21-16(24)12-6-4-3-5-7-12)18-23-22-17(27-18)13-8-10-14(20)11-9-13/h3-11,15H,2H2,1H3,(H,21,24)/t15-/m1/s1.
What are the key properties of ethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate?
ethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate has a molecular weight of 369.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-benzamido-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetate is sourced from PubChem (CID 51699165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).