(3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one

C23H24N4O3 — CID 25282912

IUPAC(3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one
SMILESC[C@H]1C(=O)N(C)CCN1C(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C23H24N4O3/c1-16-23(29)26(2)14-15-27(16)21(28)13-12-20-24-25-22(30-20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3/t16-/m0/s1
InChIKeyFTXAUISMWMXCJB-INIZCTEOSA-N
MW404.47 g/mol
LogP3.03
Rot. Bonds5

About (3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one

(3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one (PubChem CID 25282912) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is (3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one.

Molecular Properties

Compound Name(3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one
PubChem CID25282912
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name(3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one
SMILESC[C@H]1C(=O)N(C)CCN1C(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C23H24N4O3/c1-16-23(29)26(2)14-15-27(16)21(28)13-12-20-24-25-22(30-20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3/t16-/m0/s1
InChIKeyFTXAUISMWMXCJB-INIZCTEOSA-N
XLogP3.03
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
(2S)-1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperidine-2-carboxylic acid
CID 125130518
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
CID 51092104
1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 8950170
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 110333746
ethyl (3R)-3-phenyl-3-[1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]propanoate
CID 51957756
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one
CID 96509441
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 7130632
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 110333959
(3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
CID 95197684
1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658437

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one?
The IUPAC name of (3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one (CID 25282912) is (3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one.
What is the SMILES notation for (3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one?
The canonical SMILES for (3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one is C[C@H]1C(=O)N(C)CCN1C(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of (3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one?
The InChIKey is FTXAUISMWMXCJB-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-23(29)26(2)14-15-27(16)21(28)13-12-20-24-25-22(30-20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one?
(3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one has a molecular weight of 404.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one is sourced from PubChem (CID 25282912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).