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

C15H16ClN3O2 — CID 120856007

IUPAC1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(C3Cc4cc(Cl)ccc4O3)n2)CCCC1
InChIInChI=1S/C15H16ClN3O2/c16-10-3-4-11-9(7-10)8-12(20-11)13-18-14(19-21-13)15(17)5-1-2-6-15/h3-4,7,12H,1-2,5-6,8,17H2
InChIKeyNNMGOCNMQXZVOS-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.13
Rot. Bonds2

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

1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120856007) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120856007
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(C3Cc4cc(Cl)ccc4O3)n2)CCCC1
InChIInChI=1S/C15H16ClN3O2/c16-10-3-4-11-9(7-10)8-12(20-11)13-18-14(19-21-13)15(17)5-1-2-6-15/h3-4,7,12H,1-2,5-6,8,17H2
InChIKeyNNMGOCNMQXZVOS-UHFFFAOYSA-N
XLogP3.13
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354306
1-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61351721
1-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862589
1-[5-(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863891
1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864773
1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864774
1-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853160
1-[5-(6-chloro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854028
1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857482
1-[5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856616
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120856007) is 1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(C3Cc4cc(Cl)ccc4O3)n2)CCCC1.
What is the InChIKey of 1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is NNMGOCNMQXZVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-10-3-4-11-9(7-10)8-12(20-11)13-18-14(19-21-13)15(17)5-1-2-6-15/h3-4,7,12H,1-2,5-6,8,17H2.
What are the key properties of 1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 305.76 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120856007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).