[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate

C19H16ClN3O4 — CID 8942628

IUPAC[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H16ClN3O4/c1-12(18-22-23-19(27-18)14-5-3-2-4-6-14)26-16(24)11-21-17(25)13-7-9-15(20)10-8-13/h2-10,12H,11H2,1H3,(H,21,25)/t12-/m0/s1
InChIKeyVWJLRWFYAHRQGU-LBPRGKRZSA-N
MW385.81 g/mol
LogP3.42
Rot. Bonds6

About [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate

[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 8942628) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID8942628
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H16ClN3O4/c1-12(18-22-23-19(27-18)14-5-3-2-4-6-14)26-16(24)11-21-17(25)13-7-9-15(20)10-8-13/h2-10,12H,11H2,1H3,(H,21,25)/t12-/m0/s1
InChIKeyVWJLRWFYAHRQGU-LBPRGKRZSA-N
XLogP3.42
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942634
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7604905
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate
CID 9412822
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8943626
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate
CID 18209821
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-benzamidoacetate
CID 7696157
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate
CID 31012168
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7604320
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616510
[(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879449
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(2-chlorophenyl)propanoate
CID 31012201
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7604545

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate (CID 8942628) is [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate is C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is VWJLRWFYAHRQGU-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-12(18-22-23-19(27-18)14-5-3-2-4-6-14)26-16(24)11-21-17(25)13-7-9-15(20)10-8-13/h2-10,12H,11H2,1H3,(H,21,25)/t12-/m0/s1.
What are the key properties of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 385.81 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 8942628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).