N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine

C18H24N4O2 — CID 120751755

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine
SMILESNCc1nc(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)no1
InChIInChI=1S/C18H24N4O2/c19-10-18-20-17(21-24-18)12-22(15-3-1-2-4-15)11-13-5-6-16-14(9-13)7-8-23-16/h5-6,9,15H,1-4,7-8,10-12,19H2
InChIKeyXGSSHSZPXLYZRD-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.41
Rot. Bonds6

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine (PubChem CID 120751755) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine
PubChem CID120751755
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine
SMILESNCc1nc(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)no1
InChIInChI=1S/C18H24N4O2/c19-10-18-20-17(21-24-18)12-22(15-3-1-2-4-15)11-13-5-6-16-14(9-13)7-8-23-16/h5-6,9,15H,1-4,7-8,10-12,19H2
InChIKeyXGSSHSZPXLYZRD-UHFFFAOYSA-N
XLogP2.41
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride
CID 120751754
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine
CID 120751745
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine
CID 120750917
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
CID 120752346
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(cyclopropylmethyl)cyclohexanamine;hydrochloride
CID 120751690
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine
CID 120751565
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride
CID 119318097
4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide
CID 119318110
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(5-bromo-2-fluorophenyl)methyl]cyclopropanamine
CID 120750907
2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
CID 65445174
N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 65445563

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine (CID 120751755) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine is NCc1nc(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)no1.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine?
The InChIKey is XGSSHSZPXLYZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-10-18-20-17(21-24-18)12-22(15-3-1-2-4-15)11-13-5-6-16-14(9-13)7-8-23-16/h5-6,9,15H,1-4,7-8,10-12,19H2.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine has a molecular weight of 328.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine is sourced from PubChem (CID 120751755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).