3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine

C17H20F3N5O — CID 89282283

IUPAC3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
SMILESCCCc1cc2c(C(F)(F)F)c(N)ccc2n1Cc1noc(N(C)C)n1
InChIInChI=1S/C17H20F3N5O/c1-4-5-10-8-11-13(7-6-12(21)15(11)17(18,19)20)25(10)9-14-22-16(24(2)3)26-23-14/h6-8H,4-5,9,21H2,1-3H3
InChIKeyNCLLYTOKVCDGBZ-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.69
Rot. Bonds5

About 3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine

3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine (PubChem CID 89282283) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
PubChem CID89282283
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
SMILESCCCc1cc2c(C(F)(F)F)c(N)ccc2n1Cc1noc(N(C)C)n1
InChIInChI=1S/C17H20F3N5O/c1-4-5-10-8-11-13(7-6-12(21)15(11)17(18,19)20)25(10)9-14-22-16(24(2)3)26-23-14/h6-8H,4-5,9,21H2,1-3H3
InChIKeyNCLLYTOKVCDGBZ-UHFFFAOYSA-N
XLogP3.69
TPSA73.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine (CID 89282283) is 3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine is CCCc1cc2c(C(F)(F)F)c(N)ccc2n1Cc1noc(N(C)C)n1.
What is the InChIKey of 3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
The InChIKey is NCLLYTOKVCDGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-4-5-10-8-11-13(7-6-12(21)15(11)17(18,19)20)25(10)9-14-22-16(24(2)3)26-23-14/h6-8H,4-5,9,21H2,1-3H3.
What are the key properties of 3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine has a molecular weight of 367.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 89282283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).