[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium

C21H19ClN3OS+ — CID 8866842

IUPAC[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
SMILESC[C@@H]([NH2+][C@@H](c1ccccc1)c1cccs1)c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C21H18ClN3OS/c1-14(20-24-25-21(26-20)16-9-5-10-17(22)13-16)23-19(18-11-6-12-27-18)15-7-3-2-4-8-15/h2-14,19,23H,1H3/p+1/t14-,19+/m1/s1
InChIKeyIAZWXIFKOHCJKU-KUHUBIRLSA-O
MW396.92 g/mol
LogP4.87
Rot. Bonds6

About [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium

[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium (PubChem CID 8866842) has the molecular formula C21H19ClN3OS+ and a molecular weight of 396.92 g/mol. Its IUPAC name is [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
PubChem CID8866842
Molecular FormulaC21H19ClN3OS+
Molecular Weight396.92 g/mol
Exact Mass396.09
IUPAC Name[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
SMILESC[C@@H]([NH2+][C@@H](c1ccccc1)c1cccs1)c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C21H18ClN3OS/c1-14(20-24-25-21(26-20)16-9-5-10-17(22)13-16)23-19(18-11-6-12-27-18)15-7-3-2-4-8-15/h2-14,19,23H,1H3/p+1/t14-,19+/m1/s1
InChIKeyIAZWXIFKOHCJKU-KUHUBIRLSA-O
XLogP4.87
TPSA55.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium 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

[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640784
(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 8869846
[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 9136360
(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(S)-furan-2-yl(phenyl)methyl]ethanamine
CID 8756618
(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(R)-furan-2-yl(phenyl)methyl]ethanamine
CID 8756620
(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(S)-(4-methylphenyl)-phenylmethyl]ethanamine
CID 8641751
[(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium
CID 8599230
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 110652267
2-(3-chlorophenyl)-5-[(1S)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308998
2-(3-chlorophenyl)-5-[1-(1,3-thiazol-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole
CID 56792037
2-(3-chlorophenyl)-5-[(1R)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308994
2-(3-chlorophenyl)-5-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3,4-oxadiazole
CID 46527762

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The IUPAC name of [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium (CID 8866842) is [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium.
What is the SMILES notation for [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The canonical SMILES for [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium is C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccs1)c1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The InChIKey is IAZWXIFKOHCJKU-KUHUBIRLSA-O. The full InChI is InChI=1S/C21H18ClN3OS/c1-14(20-24-25-21(26-20)16-9-5-10-17(22)13-16)23-19(18-11-6-12-27-18)15-7-3-2-4-8-15/h2-14,19,23H,1H3/p+1/t14-,19+/m1/s1.
What are the key properties of [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium has a molecular weight of 396.92 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium is sourced from PubChem (CID 8866842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).