N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine

C16H20N4O — CID 102914308

IUPACN-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine
SMILESCCCNCc1cccc2ccn(Cc3nonc3C)c12
InChIInChI=1S/C16H20N4O/c1-3-8-17-10-14-6-4-5-13-7-9-20(16(13)14)11-15-12(2)18-21-19-15/h4-7,9,17H,3,8,10-11H2,1-2H3
InChIKeyGNUVQCILHSFPGV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.88
Rot. Bonds6

About N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine

N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine (PubChem CID 102914308) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine
PubChem CID102914308
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine
SMILESCCCNCc1cccc2ccn(Cc3nonc3C)c12
InChIInChI=1S/C16H20N4O/c1-3-8-17-10-14-6-4-5-13-7-9-20(16(13)14)11-15-12(2)18-21-19-15/h4-7,9,17H,3,8,10-11H2,1-2H3
InChIKeyGNUVQCILHSFPGV-UHFFFAOYSA-N
XLogP2.88
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine
CID 102914869
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine
CID 102914247
N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine
CID 102914380
2-[7-(propylaminomethyl)indol-1-yl]acetonitrile
CID 102914342
1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
CID 102914360
3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102914318
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine
CID 102914312
N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine
CID 102914224
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine
CID 102914218
N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide
CID 102914354
N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide
CID 102914268

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine (CID 102914308) is N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine is CCCNCc1cccc2ccn(Cc3nonc3C)c12.
What is the InChIKey of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine?
The InChIKey is GNUVQCILHSFPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-8-17-10-14-6-4-5-13-7-9-20(16(13)14)11-15-12(2)18-21-19-15/h4-7,9,17H,3,8,10-11H2,1-2H3.
What are the key properties of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine?
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine has a molecular weight of 284.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine is sourced from PubChem (CID 102914308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).