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

C19H21ClN3OS+ — CID 8595463

IUPAC[(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
SMILESCSc1ccc(C[NH+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C19H20ClN3OS/c1-13(23(2)12-14-7-9-17(25-3)10-8-14)18-21-22-19(24-18)15-5-4-6-16(20)11-15/h4-11,13H,12H2,1-3H3/p+1/t13-/m0/s1
InChIKeyRYWGQLWEANMTHN-ZDUSSCGKSA-O
MW374.92 g/mol
LogP3.89
Rot. Bonds6

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

[(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium (PubChem CID 8595463) has the molecular formula C19H21ClN3OS+ and a molecular weight of 374.92 g/mol. Its IUPAC name is [(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium.

Molecular Properties

Compound Name[(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
PubChem CID8595463
Molecular FormulaC19H21ClN3OS+
Molecular Weight374.92 g/mol
Exact Mass374.11
IUPAC Name[(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
SMILESCSc1ccc(C[NH+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C19H20ClN3OS/c1-13(23(2)12-14-7-9-17(25-3)10-8-14)18-21-22-19(24-18)15-5-4-6-16(20)11-15/h4-11,13H,12H2,1-3H3/p+1/t13-/m0/s1
InChIKeyRYWGQLWEANMTHN-ZDUSSCGKSA-O
XLogP3.89
TPSA43.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium with MolForge

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Related Compounds

(4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium
CID 8540659
2-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7534146
(3-chlorophenyl)methyl-methyl-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 9041858
[(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8786329
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 16854449
3-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-2-methylpropan-1-ol
CID 111542528
[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate
CID 44605913
(2R,6S)-4-[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,6-dimethylmorpholine
CID 29241115
2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole
CID 8644330
(4-bromophenyl)methyl-methyl-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 9042775
1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine
CID 127386626
1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine
CID 84700432

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium?
The IUPAC name of [(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium (CID 8595463) is [(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium.
What is the SMILES notation for [(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium?
The canonical SMILES for [(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium is CSc1ccc(C[NH+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1.
What is the InChIKey of [(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium?
The InChIKey is RYWGQLWEANMTHN-ZDUSSCGKSA-O. The full InChI is InChI=1S/C19H20ClN3OS/c1-13(23(2)12-14-7-9-17(25-3)10-8-14)18-21-22-19(24-18)15-5-4-6-16(20)11-15/h4-11,13H,12H2,1-3H3/p+1/t13-/m0/s1.
What are the key properties of [(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium?
[(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium has a molecular weight of 374.92 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium is sourced from PubChem (CID 8595463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).