1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C17H17ClN4O2 — CID 120855059

IUPAC1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(COc3ccc(Cl)c4cccnc34)n2)CCCC1
InChIInChI=1S/C17H17ClN4O2/c18-12-5-6-13(15-11(12)4-3-9-20-15)23-10-14-21-16(22-24-14)17(19)7-1-2-8-17/h3-6,9H,1-2,7-8,10,19H2
InChIKeyFBXVDMAPOKHZJT-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.58
Rot. Bonds4

About 1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120855059) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120855059
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(COc3ccc(Cl)c4cccnc34)n2)CCCC1
InChIInChI=1S/C17H17ClN4O2/c18-12-5-6-13(15-11(12)4-3-9-20-15)23-10-14-21-16(22-24-14)17(19)7-1-2-8-17/h3-6,9H,1-2,7-8,10,19H2
InChIKeyFBXVDMAPOKHZJT-UHFFFAOYSA-N
XLogP3.58
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine with MolForge

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Related Compounds

1-[5-[(3-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851731
1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851047
1-[5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858621
1-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62229473
1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857455
1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853984
5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole
CID 167869013
4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride
CID 120854814
1-[5-[(4-phenylmethoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854824
1-[5-[(4-tert-butylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853869
1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858878
[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558658

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120855059) is 1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(COc3ccc(Cl)c4cccnc34)n2)CCCC1.
What is the InChIKey of 1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is FBXVDMAPOKHZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-12-5-6-13(15-11(12)4-3-9-20-15)23-10-14-21-16(22-24-14)17(19)7-1-2-8-17/h3-6,9H,1-2,7-8,10,19H2.
What are the key properties of 1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 344.80 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120855059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).