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

C18H17N5O2 — CID 167952103

IUPAC1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3cn[nH]c3-c3cc4ccccc4o3)n2)CCCC1
InChIInChI=1S/C18H17N5O2/c19-18(7-3-4-8-18)17-21-16(25-23-17)12-10-20-22-15(12)14-9-11-5-1-2-6-13(11)24-14/h1-2,5-6,9-10H,3-4,7-8,19H2,(H,20,22)
InChIKeyDDJUNHDXFDRQPL-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.60
Rot. Bonds3

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

1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 167952103) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID167952103
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3cn[nH]c3-c3cc4ccccc4o3)n2)CCCC1
InChIInChI=1S/C18H17N5O2/c19-18(7-3-4-8-18)17-21-16(25-23-17)12-10-20-22-15(12)14-9-11-5-1-2-6-13(11)24-14/h1-2,5-6,9-10H,3-4,7-8,19H2,(H,20,22)
InChIKeyDDJUNHDXFDRQPL-UHFFFAOYSA-N
XLogP3.60
TPSA106.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120855673
1-[5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 137031670
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120863265
2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one
CID 167905774
1-[5-[(E)-2-(1-benzofuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851886
8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 120857319
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 63078918
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851364
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride
CID 120852980
1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354502
1-[5-(5-methylfuro[3,2-b]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851641
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride
CID 137031613

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 167952103) is 1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(-c3cn[nH]c3-c3cc4ccccc4o3)n2)CCCC1.
What is the InChIKey of 1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is DDJUNHDXFDRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-18(7-3-4-8-18)17-21-16(25-23-17)12-10-20-22-15(12)14-9-11-5-1-2-6-13(11)24-14/h1-2,5-6,9-10H,3-4,7-8,19H2,(H,20,22).
What are the key properties of 1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 335.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 167952103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).