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

C16H20N4O — CID 102916032

IUPACN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc2c(ccn2Cc2noc(C)n2)c1
InChIInChI=1S/C16H20N4O/c1-3-7-17-10-13-4-5-15-14(9-13)6-8-20(15)11-16-18-12(2)21-19-16/h4-6,8-9,17H,3,7,10-11H2,1-2H3
InChIKeyHLSMBGFBLVZYLV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.88
Rot. Bonds6

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

N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine (PubChem CID 102916032) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine
PubChem CID102916032
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc2c(ccn2Cc2noc(C)n2)c1
InChIInChI=1S/C16H20N4O/c1-3-7-17-10-13-4-5-15-14(9-13)6-8-20(15)11-16-18-12(2)21-19-16/h4-6,8-9,17H,3,7,10-11H2,1-2H3
InChIKeyHLSMBGFBLVZYLV-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'}

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Related Compounds

N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915853
N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methanamine
CID 102915694
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915939
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine
CID 102916807
N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine
CID 104811726
N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide
CID 102915998
N-ethyl-2-[5-(propylaminomethyl)indol-1-yl]acetamide
CID 102915996
3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 116622908
N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine
CID 102916765
N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66349428
N-[(3-chloro-4-methylphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106833818
N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60879692

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine (CID 102916032) is N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine is CCCNCc1ccc2c(ccn2Cc2noc(C)n2)c1.
What is the InChIKey of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine?
The InChIKey is HLSMBGFBLVZYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-7-17-10-13-4-5-15-14(9-13)6-8-20(15)11-16-18-12(2)21-19-16/h4-6,8-9,17H,3,7,10-11H2,1-2H3.
What are the key properties of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine?
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 102916032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).