[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate

C23H25N3O4 — CID 7573250

IUPAC[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
SMILESCC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)O[C@@H](C)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H25N3O4/c1-15(2)20(24-19(27)14-17-10-6-4-7-11-17)23(28)29-16(3)21-25-26-22(30-21)18-12-8-5-9-13-18/h4-13,15-16,20H,14H2,1-3H3,(H,24,27)/t16-,20-/m0/s1
InChIKeyWTVYPGCHSPINEW-JXFKEZNVSA-N
MW407.47 g/mol
LogP3.72
Rot. Bonds8

About [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate

[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate (PubChem CID 7573250) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate.

Molecular Properties

Compound Name[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
PubChem CID7573250
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
SMILESCC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)O[C@@H](C)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H25N3O4/c1-15(2)20(24-19(27)14-17-10-6-4-7-11-17)23(28)29-16(3)21-25-26-22(30-21)18-12-8-5-9-13-18/h4-13,15-16,20H,14H2,1-3H3,(H,24,27)/t16-,20-/m0/s1
InChIKeyWTVYPGCHSPINEW-JXFKEZNVSA-N
XLogP3.72
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate with MolForge

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Related Compounds

[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 40855990
ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
[2-(carbamoylamino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573092
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 7629196
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7604320
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 28997526
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7628188
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848337
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 8872478
[(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] 4-(methoxymethyl)benzoate
CID 7627264
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(2-chlorophenyl)propanoate
CID 31012201

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate?
The IUPAC name of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate (CID 7573250) is [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate.
What is the SMILES notation for [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate?
The canonical SMILES for [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate is CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)O[C@@H](C)c1nnc(-c2ccccc2)o1.
What is the InChIKey of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate?
The InChIKey is WTVYPGCHSPINEW-JXFKEZNVSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(2)20(24-19(27)14-17-10-6-4-7-11-17)23(28)29-16(3)21-25-26-22(30-21)18-12-8-5-9-13-18/h4-13,15-16,20H,14H2,1-3H3,(H,24,27)/t16-,20-/m0/s1.
What are the key properties of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate?
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate has a molecular weight of 407.47 g/mol, XLogP of 3.72, 8 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] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate is sourced from PubChem (CID 7573250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).