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

C21H29N5O — CID 42609848

IUPAC5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCc1[nH]c2ccc(-c3nnc(NCCCCN4CCCCC4)o3)cc2c1C
InChIInChI=1S/C21H29N5O/c1-15-16(2)23-19-9-8-17(14-18(15)19)20-24-25-21(27-20)22-10-4-7-13-26-11-5-3-6-12-26/h8-9,14,23H,3-7,10-13H2,1-2H3,(H,22,25)
InChIKeyIJDRWACWBMEHCH-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.51
Rot. Bonds7

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

5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 42609848) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine
PubChem CID42609848
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCc1[nH]c2ccc(-c3nnc(NCCCCN4CCCCC4)o3)cc2c1C
InChIInChI=1S/C21H29N5O/c1-15-16(2)23-19-9-8-17(14-18(15)19)20-24-25-21(27-20)22-10-4-7-13-26-11-5-3-6-12-26/h8-9,14,23H,3-7,10-13H2,1-2H3,(H,22,25)
InChIKeyIJDRWACWBMEHCH-UHFFFAOYSA-N
XLogP4.51
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 42634157
5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine
CID 135879429
5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine
CID 135879430
N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride
CID 24786137
2-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 20895025
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole
CID 154640070
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylbutanamide
CID 13185367
N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 134711406
N-(3-acetylphenyl)-2-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 20895048
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 20895020
5-(3-amino-1H-indazol-5-yl)-N-ethyl-1,3,4-oxadiazol-2-amine
CID 25108868
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone
CID 178127754

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine (CID 42609848) is 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine is Cc1[nH]c2ccc(-c3nnc(NCCCCN4CCCCC4)o3)cc2c1C.
What is the InChIKey of 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is IJDRWACWBMEHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-15-16(2)23-19-9-8-17(14-18(15)19)20-24-25-21(27-20)22-10-4-7-13-26-11-5-3-6-12-26/h8-9,14,23H,3-7,10-13H2,1-2H3,(H,22,25).
What are the key properties of 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine?
5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 367.50 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 42609848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).