1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C18H22ClN3O2 — CID 120852778

IUPAC1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(C3(c4cccc(Cl)c4)CCOCC3)n2)CCCC1
InChIInChI=1S/C18H22ClN3O2/c19-14-5-3-4-13(12-14)17(8-10-23-11-9-17)16-21-15(22-24-16)18(20)6-1-2-7-18/h3-5,12H,1-2,6-11,20H2
InChIKeyUIVSKBNHEJNDLS-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.55
Rot. Bonds3

About 1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120852778) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120852778
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(C3(c4cccc(Cl)c4)CCOCC3)n2)CCCC1
InChIInChI=1S/C18H22ClN3O2/c19-14-5-3-4-13(12-14)17(8-10-23-11-9-17)16-21-15(22-24-16)18(20)6-1-2-7-18/h3-5,12H,1-2,6-11,20H2
InChIKeyUIVSKBNHEJNDLS-UHFFFAOYSA-N
XLogP3.55
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862203
1-[5-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855460
1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851992
5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole
CID 56804175
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 56804159
1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862063
1-[5-[1-(4-methoxyphenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853255
4-amino-4-(3-chlorophenyl)cyclohexan-1-one
CID 115034262
1-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62229473
1-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 56712323
3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 71863997

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120852778) is 1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(C3(c4cccc(Cl)c4)CCOCC3)n2)CCCC1.
What is the InChIKey of 1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is UIVSKBNHEJNDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c19-14-5-3-4-13(12-14)17(8-10-23-11-9-17)16-21-15(22-24-16)18(20)6-1-2-7-18/h3-5,12H,1-2,6-11,20H2.
What are the key properties of 1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 347.85 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120852778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).