(1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

C17H16ClN3O — CID 69204753

IUPAC(1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc([C@H](N)Cc2ccc(-c3cccc(Cl)c3)cc2)n1
InChIInChI=1S/C17H16ClN3O/c1-11-20-17(22-21-11)16(19)9-12-5-7-13(8-6-12)14-3-2-4-15(18)10-14/h2-8,10,16H,9,19H2,1H3/t16-/m1/s1
InChIKeyPGEBWGBXGKABHP-MRXNPFEDSA-N
MW313.79 g/mol
LogP3.94
Rot. Bonds4

About (1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

(1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 69204753) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is (1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID69204753
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name(1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc([C@H](N)Cc2ccc(-c3cccc(Cl)c3)cc2)n1
InChIInChI=1S/C17H16ClN3O/c1-11-20-17(22-21-11)16(19)9-12-5-7-13(8-6-12)14-3-2-4-15(18)10-14/h2-8,10,16H,9,19H2,1H3/t16-/m1/s1
InChIKeyPGEBWGBXGKABHP-MRXNPFEDSA-N
XLogP3.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
CID 69207953
(1R)-2-[4-(3-fluoro-4-phenylmethoxyphenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 69206362
2-[4-(3-fluoro-4-phenylmethoxyphenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
CID 69207145
(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 119947822
(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 29052317
(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 2512349
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983433
ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate
CID 67208813
ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 90399401
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 43152100
chloromethane;ethyl (2R,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate;ethyl (2S,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate
CID 159184442
chloromethane;methyl (2R,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-hydroxybutanoate;methyl (2S,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-hydroxybutanoate
CID 159151888

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of (1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 69204753) is (1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for (1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for (1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is Cc1noc([C@H](N)Cc2ccc(-c3cccc(Cl)c3)cc2)n1.
What is the InChIKey of (1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is PGEBWGBXGKABHP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-11-20-17(22-21-11)16(19)9-12-5-7-13(8-6-12)14-3-2-4-15(18)10-14/h2-8,10,16H,9,19H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
(1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 313.79 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 69204753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).