N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine

C16H20N4O — CID 102916861

IUPACN-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine
SMILESCc1nonc1Cn1ccc2ccc(CNC(C)C)cc21
InChIInChI=1S/C16H20N4O/c1-11(2)17-9-13-4-5-14-6-7-20(16(14)8-13)10-15-12(3)18-21-19-15/h4-8,11,17H,9-10H2,1-3H3
InChIKeyGMUOHQWEDYDGOI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.88
Rot. Bonds5

About N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine

N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine (PubChem CID 102916861) 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-6-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine
PubChem CID102916861
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine
SMILESCc1nonc1Cn1ccc2ccc(CNC(C)C)cc21
InChIInChI=1S/C16H20N4O/c1-11(2)17-9-13-4-5-14-6-7-20(16(14)8-13)10-15-12(3)18-21-19-15/h4-8,11,17H,9-10H2,1-3H3
InChIKeyGMUOHQWEDYDGOI-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine with MolForge

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Related Compounds

[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methanamine
CID 102916473
N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine
CID 102915750
3-methyl-4-[(5-methylindol-1-yl)methyl]-1,2,5-oxadiazole
CID 116622953
N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine
CID 106455414
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880
N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine
CID 102916820
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine
CID 102916137
N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine
CID 102916071
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916721
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine
CID 102916925
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine
CID 102916629
2-methyl-N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66400862

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine (CID 102916861) is N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine is Cc1nonc1Cn1ccc2ccc(CNC(C)C)cc21.
What is the InChIKey of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine?
The InChIKey is GMUOHQWEDYDGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)17-9-13-4-5-14-6-7-20(16(14)8-13)10-15-12(3)18-21-19-15/h4-8,11,17H,9-10H2,1-3H3.
What are the key properties of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine?
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine has a molecular weight of 284.36 g/mol, XLogP of 2.88, 5 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-6-yl]methyl]propan-2-amine is sourced from PubChem (CID 102916861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).