5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile

C15H11ClN6O — CID 124571734

IUPAC5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile
SMILESC[C@H](Nc1cnc(C#N)cn1)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H11ClN6O/c1-9(20-13-8-18-12(6-17)7-19-13)14-21-15(23-22-14)10-2-4-11(16)5-3-10/h2-5,7-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyATVMSWHXLKOOKT-VIFPVBQESA-N
MW326.75 g/mol
LogP3.22
Rot. Bonds4

About 5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile

5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile (PubChem CID 124571734) has the molecular formula C15H11ClN6O and a molecular weight of 326.75 g/mol. Its IUPAC name is 5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile
PubChem CID124571734
Molecular FormulaC15H11ClN6O
Molecular Weight326.75 g/mol
Exact Mass326.07
IUPAC Name5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile
SMILESC[C@H](Nc1cnc(C#N)cn1)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H11ClN6O/c1-9(20-13-8-18-12(6-17)7-19-13)14-21-15(23-22-14)10-2-4-11(16)5-3-10/h2-5,7-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyATVMSWHXLKOOKT-VIFPVBQESA-N
XLogP3.22
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile
CID 133418962
4-[[[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]methyl]benzonitrile
CID 96564419
(2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 119344422
(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]ethanamine
CID 99816062
(2S)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide;hydrochloride
CID 119344413
2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]-N,N-dimethylpropanamide
CID 75521519
5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
CID 133363978
5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane
CID 155585122
5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile
CID 133485202
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 104656617
1-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120551988
N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide
CID 96559354

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile (CID 124571734) is 5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile is C[C@H](Nc1cnc(C#N)cn1)c1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile?
The InChIKey is ATVMSWHXLKOOKT-VIFPVBQESA-N. The full InChI is InChI=1S/C15H11ClN6O/c1-9(20-13-8-18-12(6-17)7-19-13)14-21-15(23-22-14)10-2-4-11(16)5-3-10/h2-5,7-9H,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of 5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile?
5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile has a molecular weight of 326.75 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 124571734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).