[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

C23H25N3O4 — CID 7604905

IUPAC[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H25N3O4/c1-15(21-25-26-22(30-21)17-8-6-5-7-9-17)29-19(27)14-24-20(28)16-10-12-18(13-11-16)23(2,3)4/h5-13,15H,14H2,1-4H3,(H,24,28)/t15-/m1/s1
InChIKeyRHCYQNWPIMHWBU-OAHLLOKOSA-N
MW407.47 g/mol
LogP4.07
Rot. Bonds6

About [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate (PubChem CID 7604905) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
PubChem CID7604905
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H25N3O4/c1-15(21-25-26-22(30-21)17-8-6-5-7-9-17)29-19(27)14-24-20(28)16-10-12-18(13-11-16)23(2,3)4/h5-13,15H,14H2,1-4H3,(H,24,28)/t15-/m1/s1
InChIKeyRHCYQNWPIMHWBU-OAHLLOKOSA-N
XLogP4.07
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate with MolForge

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Related Compounds

[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942628
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942634
[(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
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate
CID 33301156
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783210
benzhydryl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 3681264
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7628188
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7604320

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate (CID 7604905) is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate.
What is the SMILES notation for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The canonical SMILES for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate is C[C@@H](OC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The InChIKey is RHCYQNWPIMHWBU-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(21-25-26-22(30-21)17-8-6-5-7-9-17)29-19(27)14-24-20(28)16-10-12-18(13-11-16)23(2,3)4/h5-13,15H,14H2,1-4H3,(H,24,28)/t15-/m1/s1.
What are the key properties of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate has a molecular weight of 407.47 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate is sourced from PubChem (CID 7604905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).