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

C17H16ClN3O — CID 9334600

IUPAC(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESC[C@@H](NCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O/c1-12(13-7-9-15(18)10-8-13)19-11-16-20-21-17(22-16)14-5-3-2-4-6-14/h2-10,12,19H,11H2,1H3/t12-/m1/s1
InChIKeyMVAKTKIXOXJJAM-GFCCVEGCSA-N
MW313.79 g/mol
LogP4.24
Rot. Bonds5

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

(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 9334600) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID9334600
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESC[C@@H](NCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O/c1-12(13-7-9-15(18)10-8-13)19-11-16-20-21-17(22-16)14-5-3-2-4-6-14/h2-10,12,19H,11H2,1H3/t12-/m1/s1
InChIKeyMVAKTKIXOXJJAM-GFCCVEGCSA-N
XLogP4.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 110652267
1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78818373
1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653660
(1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 9253608
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid
CID 43466953
(1S)-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 9406604
(1S)-1-(3-chlorophenyl)-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 8599307
2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine
CID 78818492
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbutan-1-amine
CID 110652439
(2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 95131861
2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 78762124
(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 94160198

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 9334600) is (1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is C[C@@H](NCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is MVAKTKIXOXJJAM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-12(13-7-9-15(18)10-8-13)19-11-16-20-21-17(22-16)14-5-3-2-4-6-14/h2-10,12,19H,11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 313.79 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 9334600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).