1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C18H22N4O2 — CID 120856562

IUPAC1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCN(C)Cc1c(-c2nc(C3(N)CCCC3)no2)oc2ccccc12
InChIInChI=1S/C18H22N4O2/c1-22(2)11-13-12-7-3-4-8-14(12)23-15(13)16-20-17(21-24-16)18(19)9-5-6-10-18/h3-4,7-8H,5-6,9-11,19H2,1-2H3
InChIKeyYLILABTXCCXYBW-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.27
Rot. Bonds4

About 1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120856562) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120856562
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCN(C)Cc1c(-c2nc(C3(N)CCCC3)no2)oc2ccccc12
InChIInChI=1S/C18H22N4O2/c1-22(2)11-13-12-7-3-4-8-14(12)23-15(13)16-20-17(21-24-16)18(19)9-5-6-10-18/h3-4,7-8H,5-6,9-11,19H2,1-2H3
InChIKeyYLILABTXCCXYBW-UHFFFAOYSA-N
XLogP3.27
TPSA81.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine with MolForge

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Related Compounds

1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851915
2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one
CID 167905774
1-[5-[3-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853378
1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860993
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120855673
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120863265
1-[5-(4-methoxynaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862773
1-[5-(4-methylquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859220
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride
CID 120852980
1-[5-[4-(diethylaminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862052
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one
CID 120857058
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
CID 120859234

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120856562) is 1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is CN(C)Cc1c(-c2nc(C3(N)CCCC3)no2)oc2ccccc12.
What is the InChIKey of 1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is YLILABTXCCXYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-22(2)11-13-12-7-3-4-8-14(12)23-15(13)16-20-17(21-24-16)18(19)9-5-6-10-18/h3-4,7-8H,5-6,9-11,19H2,1-2H3.
What are the key properties of 1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 326.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120856562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).