N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine

C17H19N3O — CID 102916925

IUPACN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine
SMILESCc1cc(Cn2ccc3ccc(CNC4CC4)cc32)no1
InChIInChI=1S/C17H19N3O/c1-12-8-16(19-21-12)11-20-7-6-14-3-2-13(9-17(14)20)10-18-15-4-5-15/h2-3,6-9,15,18H,4-5,10-11H2,1H3
InChIKeyVTLFJHHVPHGVSZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.24
Rot. Bonds5

About N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine

N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine (PubChem CID 102916925) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine
PubChem CID102916925
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine
SMILESCc1cc(Cn2ccc3ccc(CNC4CC4)cc32)no1
InChIInChI=1S/C17H19N3O/c1-12-8-16(19-21-12)11-20-7-6-14-3-2-13(9-17(14)20)10-18-15-4-5-15/h2-3,6-9,15,18H,4-5,10-11H2,1H3
InChIKeyVTLFJHHVPHGVSZ-UHFFFAOYSA-N
XLogP3.24
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

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]pyrrol-2-yl]methyl]cyclopropanamine
CID 66403372
N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine
CID 102916924
ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 102916947
N-[[1-[2-(oxolan-2-yl)ethyl]indol-6-yl]methyl]cyclopropanamine
CID 65165692
N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine
CID 115979513
N-[[3-bromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 63046065
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 60694528
3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 146288408
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine
CID 102916500
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine
CID 102916861
7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one
CID 84594385

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine (CID 102916925) is N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine is Cc1cc(Cn2ccc3ccc(CNC4CC4)cc32)no1.
What is the InChIKey of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine?
The InChIKey is VTLFJHHVPHGVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-8-16(19-21-12)11-20-7-6-14-3-2-13(9-17(14)20)10-18-15-4-5-15/h2-3,6-9,15,18H,4-5,10-11H2,1H3.
What are the key properties of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine?
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine has a molecular weight of 281.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102916925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).