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

C20H23N3O2 — CID 40881264

IUPAC(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine
SMILESCOc1ccccc1[C@H](C)N[C@H](C)c1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C20H23N3O2/c1-13-9-11-16(12-10-13)20-23-22-19(25-20)15(3)21-14(2)17-7-5-6-8-18(17)24-4/h5-12,14-15,21H,1-4H3/t14-,15+/m0/s1
InChIKeyQUOORQRBPDMIDV-LSDHHAIUSA-N
MW337.42 g/mol
LogP4.47
Rot. Bonds6

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

(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine (PubChem CID 40881264) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine
PubChem CID40881264
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine
SMILESCOc1ccccc1[C@H](C)N[C@H](C)c1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C20H23N3O2/c1-13-9-11-16(12-10-13)20-23-22-19(25-20)15(3)21-14(2)17-7-5-6-8-18(17)24-4/h5-12,14-15,21H,1-4H3/t14-,15+/m0/s1
InChIKeyQUOORQRBPDMIDV-LSDHHAIUSA-N
XLogP4.47
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 51202900
2-[1-(2-methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 60593890
(1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 94015415
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 134032596
2-methoxy-5-methyl-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 40940269
2-(3,4-dimethoxyphenyl)-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 55390132
2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol
CID 43202107
2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide
CID 60542358
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-hydroxy-3-methoxybenzoate
CID 46824784

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine?
The IUPAC name of (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine (CID 40881264) is (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine?
The canonical SMILES for (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine is COc1ccccc1[C@H](C)N[C@H](C)c1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine?
The InChIKey is QUOORQRBPDMIDV-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-9-11-16(12-10-13)20-23-22-19(25-20)15(3)21-14(2)17-7-5-6-8-18(17)24-4/h5-12,14-15,21H,1-4H3/t14-,15+/m0/s1.
What are the key properties of (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine?
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine has a molecular weight of 337.42 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine is sourced from PubChem (CID 40881264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).