N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine

C23H21ClN6O — CID 161434583

IUPACN-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESC=C(c1ccc(-c2cnc(C)c(-c3nnc(Nc4cccc(Cl)c4)o3)n2)cc1)N(C)C
InChIInChI=1S/C23H21ClN6O/c1-14-21(22-28-29-23(31-22)26-19-7-5-6-18(24)12-19)27-20(13-25-14)17-10-8-16(9-11-17)15(2)30(3)4/h5-13H,2H2,1,3-4H3,(H,26,29)
InChIKeyLIRPUIUCXIZRAE-UHFFFAOYSA-N
MW432.92 g/mol
LogP5.43
Rot. Bonds6

About N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine

N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 161434583) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine
PubChem CID161434583
Molecular FormulaC23H21ClN6O
Molecular Weight432.92 g/mol
Exact Mass432.15
IUPAC NameN-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESC=C(c1ccc(-c2cnc(C)c(-c3nnc(Nc4cccc(Cl)c4)o3)n2)cc1)N(C)C
InChIInChI=1S/C23H21ClN6O/c1-14-21(22-28-29-23(31-22)26-19-7-5-6-18(24)12-19)27-20(13-25-14)17-10-8-16(9-11-17)15(2)30(3)4/h5-13H,2H2,1,3-4H3,(H,26,29)
InChIKeyLIRPUIUCXIZRAE-UHFFFAOYSA-N
XLogP5.43
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.92
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-5-(1-methyl-4-(pyridin-4-ylmethylamino)-1H-imidazol-5-yl)-1,3,4-oxadiazol-2-amine
CID 44409200
4-[5-Amino-6-[5-(2-chloroanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-n,n-dimethyl-benzamide
CID 59472029
4-[5-amino-6-[5-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-n,n-dimethyl-benzamide
CID 59472032
4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-chloro-N,N-dimethylbenzamide
CID 59472079
4-[5-amino-6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59472107
4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59472109
4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59472178
4-[5-amino-6-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59472314
N-(4-chlorophenyl)-5-(1-methyl-4-(pyridin-3-ylmethylamino)-1H-imidazol-5-yl)-1,3,4-oxadiazol-2-amine
CID 44409202
N-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine
CID 110456360
N-[(2,6-dichlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine
CID 177651399
US11390631, Example 58
CID 134461209

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine (CID 161434583) is N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine is C=C(c1ccc(-c2cnc(C)c(-c3nnc(Nc4cccc(Cl)c4)o3)n2)cc1)N(C)C.
What is the InChIKey of N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LIRPUIUCXIZRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O/c1-14-21(22-28-29-23(31-22)26-19-7-5-6-18(24)12-19)27-20(13-25-14)17-10-8-16(9-11-17)15(2)30(3)4/h5-13H,2H2,1,3-4H3,(H,26,29).
What are the key properties of N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine?
N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 432.92 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 161434583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).