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

C16H18N4O — CID 102914869

IUPACN-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine
SMILESCc1nonc1Cn1ccc2cccc(CNC3CC3)c21
InChIInChI=1S/C16H18N4O/c1-11-15(19-21-18-11)10-20-8-7-12-3-2-4-13(16(12)20)9-17-14-5-6-14/h2-4,7-8,14,17H,5-6,9-10H2,1H3
InChIKeyGTOHFQPLXVHSEY-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.63
Rot. Bonds5

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

N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine (PubChem CID 102914869) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine
PubChem CID102914869
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine
SMILESCc1nonc1Cn1ccc2cccc(CNC3CC3)c21
InChIInChI=1S/C16H18N4O/c1-11-15(19-21-18-11)10-20-8-7-12-3-2-4-13(16(12)20)9-17-14-5-6-14/h2-4,7-8,14,17H,5-6,9-10H2,1H3
InChIKeyGTOHFQPLXVHSEY-UHFFFAOYSA-N
XLogP2.63
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine
CID 102914308
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66403363
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine
CID 102914709
ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 102914953
5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol
CID 102914739
3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
CID 102914922
N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine
CID 79444404
3-methyl-4-[(5-methylindol-1-yl)methyl]-1,2,5-oxadiazole
CID 116622953
N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine
CID 102915750
N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine
CID 102913946
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine
CID 102914020
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine
CID 102916861

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine (CID 102914869) is N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine is Cc1nonc1Cn1ccc2cccc(CNC3CC3)c21.
What is the InChIKey of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine?
The InChIKey is GTOHFQPLXVHSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-15(19-21-18-11)10-20-8-7-12-3-2-4-13(16(12)20)9-17-14-5-6-14/h2-4,7-8,14,17H,5-6,9-10H2,1H3.
What are the key properties of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine?
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine has a molecular weight of 282.35 g/mol, XLogP of 2.63, 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-7-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102914869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).