5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine

C20H27N5O2 — CID 42634157

IUPAC5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCc1[nH]c2ccc(-c3nnc(NCCCCN4CCOCC4)o3)cc2c1C
InChIInChI=1S/C20H27N5O2/c1-14-15(2)22-18-6-5-16(13-17(14)18)19-23-24-20(27-19)21-7-3-4-8-25-9-11-26-12-10-25/h5-6,13,22H,3-4,7-12H2,1-2H3,(H,21,24)
InChIKeyJQLVFEHTQYAWRE-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.36
Rot. Bonds7

About 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine

5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 42634157) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine
PubChem CID42634157
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCc1[nH]c2ccc(-c3nnc(NCCCCN4CCOCC4)o3)cc2c1C
InChIInChI=1S/C20H27N5O2/c1-14-15(2)22-18-6-5-16(13-17(14)18)19-23-24-20(27-19)21-7-3-4-8-25-9-11-26-12-10-25/h5-6,13,22H,3-4,7-12H2,1-2H3,(H,21,24)
InChIKeyJQLVFEHTQYAWRE-UHFFFAOYSA-N
XLogP3.36
TPSA79.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine (CID 42634157) is 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine is Cc1[nH]c2ccc(-c3nnc(NCCCCN4CCOCC4)o3)cc2c1C.
What is the InChIKey of 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is JQLVFEHTQYAWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-15(2)22-18-6-5-16(13-17(14)18)19-23-24-20(27-19)21-7-3-4-8-25-9-11-26-12-10-25/h5-6,13,22H,3-4,7-12H2,1-2H3,(H,21,24).
What are the key properties of 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine?
5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 369.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 42634157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).