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

C20H23N3O — CID 9450761

IUPAC(1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCc1ccc(-c2nnc([C@@H](C)N(C)Cc3ccccc3C)o2)cc1
InChIInChI=1S/C20H23N3O/c1-14-9-11-17(12-10-14)20-22-21-19(24-20)16(3)23(4)13-18-8-6-5-7-15(18)2/h5-12,16H,13H2,1-4H3/t16-/m1/s1
InChIKeyJTOPHLUTGSKKFP-MRXNPFEDSA-N
MW321.42 g/mol
LogP4.55
Rot. Bonds5

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

(1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 9450761) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID9450761
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCc1ccc(-c2nnc([C@@H](C)N(C)Cc3ccccc3C)o2)cc1
InChIInChI=1S/C20H23N3O/c1-14-9-11-17(12-10-14)20-22-21-19(24-20)16(3)23(4)13-18-8-6-5-7-15(18)2/h5-12,16H,13H2,1-4H3/t16-/m1/s1
InChIKeyJTOPHLUTGSKKFP-MRXNPFEDSA-N
XLogP4.55
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 157084252
(1S)-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 41144748
(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 34875886
(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine
CID 92785745
(1R)-N-[(2-chlorophenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9042861
(1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 8805811
1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 47012873
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 138997237
(1S)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9046854
2-(1-benzylsulfanylethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 78807783
N-[(4-bromophenyl)methyl]-N-methyl-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 46614603
(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine
CID 52520727

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of (1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 9450761) is (1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for (1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for (1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine is Cc1ccc(-c2nnc([C@@H](C)N(C)Cc3ccccc3C)o2)cc1.
What is the InChIKey of (1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is JTOPHLUTGSKKFP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-9-11-17(12-10-14)20-22-21-19(24-20)16(3)23(4)13-18-8-6-5-7-15(18)2/h5-12,16H,13H2,1-4H3/t16-/m1/s1.
What are the key properties of (1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
(1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 321.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 9450761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).