(1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine

C22H25Cl2N3O2 — CID 24954457

IUPAC(1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Cl)c(OCc2noc(C(C)(C)C)n2)c1)c1cccc(Cl)c1
InChIInChI=1S/C22H25Cl2N3O2/c1-14(16-6-5-7-17(23)11-16)25-12-15-8-9-18(24)19(10-15)28-13-20-26-21(29-27-20)22(2,3)4/h5-11,14,25H,12-13H2,1-4H3/t14-/m1/s1
InChIKeyRIQPSXOEPQYESS-CQSZACIVSA-N
MW434.37 g/mol
LogP6.10
Rot. Bonds7

About (1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine

(1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine (PubChem CID 24954457) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is (1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine
PubChem CID24954457
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name(1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Cl)c(OCc2noc(C(C)(C)C)n2)c1)c1cccc(Cl)c1
InChIInChI=1S/C22H25Cl2N3O2/c1-14(16-6-5-7-17(23)11-16)25-12-15-8-9-18(24)19(10-15)28-13-20-26-21(29-27-20)22(2,3)4/h5-11,14,25H,12-13H2,1-4H3/t14-/m1/s1
InChIKeyRIQPSXOEPQYESS-CQSZACIVSA-N
XLogP6.10
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.37
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-3-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazole
CID 78878847
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106816979
(1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437957
(1R)-1-(3-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29031162
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]benzoic acid
CID 81366062

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine?
The IUPAC name of (1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine (CID 24954457) is (1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine is C[C@@H](NCc1ccc(Cl)c(OCc2noc(C(C)(C)C)n2)c1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine?
The InChIKey is RIQPSXOEPQYESS-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-14(16-6-5-7-17(23)11-16)25-12-15-8-9-18(24)19(10-15)28-13-20-26-21(29-27-20)22(2,3)4/h5-11,14,25H,12-13H2,1-4H3/t14-/m1/s1.
What are the key properties of (1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine?
(1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine has a molecular weight of 434.37 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-4-chlorophenyl]methyl]-1-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 24954457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).