7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile

C20H17N5O — CID 166363739

IUPAC7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile
SMILESCN(C)Cc1ccc(-c2noc(-c3cccc4c(C#N)c[nH]c34)n2)cc1
InChIInChI=1S/C20H17N5O/c1-25(2)12-13-6-8-14(9-7-13)19-23-20(26-24-19)17-5-3-4-16-15(10-21)11-22-18(16)17/h3-9,11,22H,12H2,1-2H3
InChIKeyMHIGFPFKWASYKN-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.82
Rot. Bonds4

About 7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile

7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile (PubChem CID 166363739) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile
PubChem CID166363739
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile
SMILESCN(C)Cc1ccc(-c2noc(-c3cccc4c(C#N)c[nH]c34)n2)cc1
InChIInChI=1S/C20H17N5O/c1-25(2)12-13-6-8-14(9-7-13)19-23-20(26-24-19)17-5-3-4-16-15(10-21)11-22-18(16)17/h3-9,11,22H,12H2,1-2H3
InChIKeyMHIGFPFKWASYKN-UHFFFAOYSA-N
XLogP3.82
TPSA81.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 126837610
N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 25110275
7-methyl-1H-indole-3-carbonitrile
CID 34177049
5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol
CID 70928046
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120842058
N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
CID 3038472
1-[1-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-triazole-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 166208546
4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol
CID 135704072
1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
CID 154766161
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106523915

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile?
The IUPAC name of 7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile (CID 166363739) is 7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile.
What is the SMILES notation for 7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile?
The canonical SMILES for 7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile is CN(C)Cc1ccc(-c2noc(-c3cccc4c(C#N)c[nH]c34)n2)cc1.
What is the InChIKey of 7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile?
The InChIKey is MHIGFPFKWASYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-25(2)12-13-6-8-14(9-7-13)19-23-20(26-24-19)17-5-3-4-16-15(10-21)11-22-18(16)17/h3-9,11,22H,12H2,1-2H3.
What are the key properties of 7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile?
7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile has a molecular weight of 343.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-1H-indole-3-carbonitrile is sourced from PubChem (CID 166363739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).