(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate

C20H19N3O4 — CID 27707248

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate
SMILESC[C@@H](CC(=O)OCc1nnc(-c2ccccc2)o1)NC(=O)c1ccccc1
InChIInChI=1S/C20H19N3O4/c1-14(21-19(25)15-8-4-2-5-9-15)12-18(24)26-13-17-22-23-20(27-17)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeyJPURLVAEJIJICT-AWEZNQCLSA-N
MW365.39 g/mol
LogP2.99
Rot. Bonds7

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate (PubChem CID 27707248) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate
PubChem CID27707248
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate
SMILESC[C@@H](CC(=O)OCc1nnc(-c2ccccc2)o1)NC(=O)c1ccccc1
InChIInChI=1S/C20H19N3O4/c1-14(21-19(25)15-8-4-2-5-9-15)12-18(24)26-13-17-22-23-20(27-17)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeyJPURLVAEJIJICT-AWEZNQCLSA-N
XLogP2.99
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 55925878
methyl 3-benzamidobutanoate
CID 10857046
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-phenylsulfanylpropanoate
CID 78546049
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 9364281
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885049
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate
CID 2424299
2-oxopropyl 3-benzamidobutanoate
CID 46819800
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate
CID 16528018
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(propan-2-yloxymethyl)benzoate
CID 8985549
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate
CID 8610251
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 29347337

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate (CID 27707248) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate is C[C@@H](CC(=O)OCc1nnc(-c2ccccc2)o1)NC(=O)c1ccccc1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate?
The InChIKey is JPURLVAEJIJICT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-14(21-19(25)15-8-4-2-5-9-15)12-18(24)26-13-17-22-23-20(27-17)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,21,25)/t14-/m0/s1.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate has a molecular weight of 365.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate is sourced from PubChem (CID 27707248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).