1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C14H16ClF2N3O2 — CID 120850426

IUPAC1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3cccc(OC(F)F)c3)n2)CCCC1
InChIInChI=1S/C14H15F2N3O2.ClH/c15-13(16)20-10-5-3-4-9(8-10)11-18-12(19-21-11)14(17)6-1-2-7-14;/h3-5,8,13H,1-2,6-7,17H2;1H
InChIKeyBCINDMNOCPCLAA-UHFFFAOYSA-N
MW331.75 g/mol
LogP3.49
Rot. Bonds4

About 1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120850426) has the molecular formula C14H16ClF2N3O2 and a molecular weight of 331.75 g/mol. Its IUPAC name is 1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120850426
Molecular FormulaC14H16ClF2N3O2
Molecular Weight331.75 g/mol
Exact Mass331.09
IUPAC Name1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3cccc(OC(F)F)c3)n2)CCCC1
InChIInChI=1S/C14H15F2N3O2.ClH/c15-13(16)20-10-5-3-4-9(8-10)11-18-12(19-21-11)14(17)6-1-2-7-14;/h3-5,8,13H,1-2,6-7,17H2;1H
InChIKeyBCINDMNOCPCLAA-UHFFFAOYSA-N
XLogP3.49
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 62920379
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854977
1-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352509
1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114560827
1-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859522
1-[5-[2-(difluoromethoxy)-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851776
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-[5-[3-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853378
1-[5-[1-(3-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854157
1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857385

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120850426) is 1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3cccc(OC(F)F)c3)n2)CCCC1.
What is the InChIKey of 1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is BCINDMNOCPCLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2.ClH/c15-13(16)20-10-5-3-4-9(8-10)11-18-12(19-21-11)14(17)6-1-2-7-14;/h3-5,8,13H,1-2,6-7,17H2;1H.
What are the key properties of 1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 331.75 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120850426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).