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

C17H17ClN4O — CID 94421822

IUPAC(1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESC[C@@H](c1ccccc1Cl)N(C)Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C17H17ClN4O/c1-12(14-7-3-4-8-15(14)18)22(2)11-16-20-17(21-23-16)13-6-5-9-19-10-13/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyZXENZRMLAXBDCO-LBPRGKRZSA-N
MW328.80 g/mol
LogP3.98
Rot. Bonds5

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

(1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 94421822) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID94421822
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name(1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESC[C@@H](c1ccccc1Cl)N(C)Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C17H17ClN4O/c1-12(14-7-3-4-8-15(14)18)22(2)11-16-20-17(21-23-16)13-6-5-9-19-10-13/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyZXENZRMLAXBDCO-LBPRGKRZSA-N
XLogP3.98
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(2-chlorophenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 78836003
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 71977773
4-[1-[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethyl]benzenesulfonamide
CID 42918150
(1S)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 97079286
2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 82688928
1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 42946170
N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56888809
(1R)-1-(1,3-benzothiazol-2-yl)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanamine
CID 8804995
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(2-chlorophenyl)propanoate
CID 71900087
3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide
CID 95767805

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 94421822) is (1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is C[C@@H](c1ccccc1Cl)N(C)Cc1nc(-c2cccnc2)no1.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is ZXENZRMLAXBDCO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-12(14-7-3-4-8-15(14)18)22(2)11-16-20-17(21-23-16)13-6-5-9-19-10-13/h3-10,12H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
(1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 328.80 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 94421822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).