3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline

C18H16N4O — CID 137308248

IUPAC3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2nnc(-c3cc4ccccc4[nH]3)o2)c1
InChIInChI=1S/C18H16N4O/c1-22(2)14-8-5-7-13(10-14)17-20-21-18(23-17)16-11-12-6-3-4-9-15(12)19-16/h3-11,19H,1-2H3
InChIKeyOMMQJJHLDNDHIB-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.95
Rot. Bonds3

About 3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline

3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline (PubChem CID 137308248) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
PubChem CID137308248
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2nnc(-c3cc4ccccc4[nH]3)o2)c1
InChIInChI=1S/C18H16N4O/c1-22(2)14-8-5-7-13(10-14)17-20-21-18(23-17)16-11-12-6-3-4-9-15(12)19-16/h3-11,19H,1-2H3
InChIKeyOMMQJJHLDNDHIB-UHFFFAOYSA-N
XLogP3.95
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline (CID 137308248) is 3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline is CN(C)c1cccc(-c2nnc(-c3cc4ccccc4[nH]3)o2)c1.
What is the InChIKey of 3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The InChIKey is OMMQJJHLDNDHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-22(2)14-8-5-7-13(10-14)17-20-21-18(23-17)16-11-12-6-3-4-9-15(12)19-16/h3-11,19H,1-2H3.
What are the key properties of 3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline has a molecular weight of 304.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 137308248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).