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

C18H17Cl2N3O — CID 95934999

IUPAC(1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESC[C@H](c1ccc(Cl)cc1Cl)N(C)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H17Cl2N3O/c1-12(15-9-8-14(19)10-16(15)20)23(2)11-17-21-22-18(24-17)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3/t12-/m1/s1
InChIKeyRXWRXMPWAQOPFI-GFCCVEGCSA-N
MW362.26 g/mol
LogP5.24
Rot. Bonds5

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

(1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 95934999) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is (1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID95934999
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name(1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESC[C@H](c1ccc(Cl)cc1Cl)N(C)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H17Cl2N3O/c1-12(15-9-8-14(19)10-16(15)20)23(2)11-17-21-22-18(24-17)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3/t12-/m1/s1
InChIKeyRXWRXMPWAQOPFI-GFCCVEGCSA-N
XLogP5.24
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.26
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 62637417
N-[1-(2,4-dichlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 42960615
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 39715287
(1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 9253608
N-methyl-1-(3-nitrophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 47011158
(2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol
CID 94824043
4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555835
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(2,4-dichlorophenyl)-N-methylethanamine
CID 120750954
2-(2,4-dichlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 110651658
(1S)-N-(cyclopropylmethyl)-N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 52835757
(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 9334600

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 95934999) is (1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is C[C@H](c1ccc(Cl)cc1Cl)N(C)Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of (1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is RXWRXMPWAQOPFI-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-12(15-9-8-14(19)10-16(15)20)23(2)11-17-21-22-18(24-17)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
(1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 362.26 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 95934999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).