N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine

C16H20N4O — CID 66408642

IUPACN-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine
SMILESCNCc1cn(Cc2noc(C(C)C)n2)c2ccccc12
InChIInChI=1S/C16H20N4O/c1-11(2)16-18-15(19-21-16)10-20-9-12(8-17-3)13-6-4-5-7-14(13)20/h4-7,9,11,17H,8,10H2,1-3H3
InChIKeyBMORFFACWUQRCG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.92
Rot. Bonds5

About N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine

N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine (PubChem CID 66408642) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine
PubChem CID66408642
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine
SMILESCNCc1cn(Cc2noc(C(C)C)n2)c2ccccc12
InChIInChI=1S/C16H20N4O/c1-11(2)16-18-15(19-21-16)10-20-9-12(8-17-3)13-6-4-5-7-14(13)20/h4-7,9,11,17H,8,10H2,1-3H3
InChIKeyBMORFFACWUQRCG-UHFFFAOYSA-N
XLogP2.92
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine (CID 66408642) is N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine is CNCc1cn(Cc2noc(C(C)C)n2)c2ccccc12.
What is the InChIKey of N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine?
The InChIKey is BMORFFACWUQRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)16-18-15(19-21-16)10-20-9-12(8-17-3)13-6-4-5-7-14(13)20/h4-7,9,11,17H,8,10H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine?
N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine has a molecular weight of 284.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine is sourced from PubChem (CID 66408642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).