[(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium

C16H19Cl2N4O2+ — CID 91895848

IUPAC[(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium
SMILESC[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[C@H]([NH3+])C(=O)N1CCCC1
InChIInChI=1S/C16H18Cl2N4O2/c1-9(13(19)16(23)22-6-2-3-7-22)14-20-21-15(24-14)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/p+1/t9-,13-/m0/s1
InChIKeyPHUKSBWGYBHYCM-ZANVPECISA-O
MW370.26 g/mol
LogP2.38
Rot. Bonds4

About [(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium

[(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium (PubChem CID 91895848) has the molecular formula C16H19Cl2N4O2+ and a molecular weight of 370.26 g/mol. Its IUPAC name is [(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium.

Molecular Properties

Compound Name[(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium
PubChem CID91895848
Molecular FormulaC16H19Cl2N4O2+
Molecular Weight370.26 g/mol
Exact Mass369.09
IUPAC Name[(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium
SMILESC[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[C@H]([NH3+])C(=O)N1CCCC1
InChIInChI=1S/C16H18Cl2N4O2/c1-9(13(19)16(23)22-6-2-3-7-22)14-20-21-15(24-14)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/p+1/t9-,13-/m0/s1
InChIKeyPHUKSBWGYBHYCM-ZANVPECISA-O
XLogP2.38
TPSA86.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium?
The IUPAC name of [(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium (CID 91895848) is [(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium.
What is the SMILES notation for [(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium?
The canonical SMILES for [(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium is C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[C@H]([NH3+])C(=O)N1CCCC1.
What is the InChIKey of [(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium?
The InChIKey is PHUKSBWGYBHYCM-ZANVPECISA-O. The full InChI is InChI=1S/C16H18Cl2N4O2/c1-9(13(19)16(23)22-6-2-3-7-22)14-20-21-15(24-14)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/p+1/t9-,13-/m0/s1.
What are the key properties of [(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium?
[(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium has a molecular weight of 370.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]azanium is sourced from PubChem (CID 91895848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).