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

C19H21ClN3O+ — CID 8540659

IUPAC(4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium
SMILESCc1cccc(-c2nnc([C@@H](C)[NH+](C)Cc3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C19H20ClN3O/c1-13-5-4-6-16(11-13)19-22-21-18(24-19)14(2)23(3)12-15-7-9-17(20)10-8-15/h4-11,14H,12H2,1-3H3/p+1/t14-/m1/s1
InChIKeyOWWIHNKPMSEKKQ-CQSZACIVSA-O
MW342.85 g/mol
LogP3.47
Rot. Bonds5

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

(4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium (PubChem CID 8540659) has the molecular formula C19H21ClN3O+ and a molecular weight of 342.85 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium
PubChem CID8540659
Molecular FormulaC19H21ClN3O+
Molecular Weight342.85 g/mol
Exact Mass342.14
IUPAC Name(4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium
SMILESCc1cccc(-c2nnc([C@@H](C)[NH+](C)Cc3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C19H20ClN3O/c1-13-5-4-6-16(11-13)19-22-21-18(24-19)14(2)23(3)12-15-7-9-17(20)10-8-15/h4-11,14H,12H2,1-3H3/p+1/t14-/m1/s1
InChIKeyOWWIHNKPMSEKKQ-CQSZACIVSA-O
XLogP3.47
TPSA43.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8595463
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium
CID 8768311
2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7997692
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 66596920
[(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8786329
(3-chlorophenyl)methyl-methyl-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 9041858
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 138997237
2-(3-methylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629943
(4-bromophenyl)methyl-methyl-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 9042775
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium?
The IUPAC name of (4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium (CID 8540659) is (4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium.
What is the SMILES notation for (4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium?
The canonical SMILES for (4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium is Cc1cccc(-c2nnc([C@@H](C)[NH+](C)Cc3ccc(Cl)cc3)o2)c1.
What is the InChIKey of (4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium?
The InChIKey is OWWIHNKPMSEKKQ-CQSZACIVSA-O. The full InChI is InChI=1S/C19H20ClN3O/c1-13-5-4-6-16(11-13)19-22-21-18(24-19)14(2)23(3)12-15-7-9-17(20)10-8-15/h4-11,14H,12H2,1-3H3/p+1/t14-/m1/s1.
What are the key properties of (4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium?
(4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium has a molecular weight of 342.85 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium is sourced from PubChem (CID 8540659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).