1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

C15H19N3O2 — CID 103721598

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2cccc3c2OC(C)(C)C3)no1
InChIInChI=1S/C15H19N3O2/c1-10-17-13(18-20-10)9-16-8-12-6-4-5-11-7-15(2,3)19-14(11)12/h4-6,16H,7-9H2,1-3H3
InChIKeyYBRSDJPFCRCYKQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.38
Rot. Bonds4

About 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 103721598) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID103721598
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2cccc3c2OC(C)(C)C3)no1
InChIInChI=1S/C15H19N3O2/c1-10-17-13(18-20-10)9-16-8-12-6-4-5-11-7-15(2,3)19-14(11)12/h4-6,16H,7-9H2,1-3H3
InChIKeyYBRSDJPFCRCYKQ-UHFFFAOYSA-N
XLogP2.38
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol
CID 115641600
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 64508375
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine
CID 116519991
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline
CID 64509256
2-bromo-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]phenol
CID 107234134
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64507929
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 64509045
2-[1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750045
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115641542
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417645
N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine
CID 64865774

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 103721598) is 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is Cc1nc(CNCc2cccc3c2OC(C)(C)C3)no1.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is YBRSDJPFCRCYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-17-13(18-20-10)9-16-8-12-6-4-5-11-7-15(2,3)19-14(11)12/h4-6,16H,7-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 273.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 103721598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).