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

C13H16ClF2N3O2S — CID 120851702

IUPAC1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1cc(OC(F)F)c(-c2nc(C3(N)CCCC3)no2)s1.Cl
InChIInChI=1S/C13H15F2N3O2S.ClH/c1-7-6-8(19-12(14)15)9(21-7)10-17-11(18-20-10)13(16)4-2-3-5-13;/h6,12H,2-5,16H2,1H3;1H
InChIKeyMWGZMTTYKQWYHV-UHFFFAOYSA-N
MW351.81 g/mol
LogP3.86
Rot. Bonds4

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

1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120851702) has the molecular formula C13H16ClF2N3O2S and a molecular weight of 351.81 g/mol. Its IUPAC name is 1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120851702
Molecular FormulaC13H16ClF2N3O2S
Molecular Weight351.81 g/mol
Exact Mass351.06
IUPAC Name1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1cc(OC(F)F)c(-c2nc(C3(N)CCCC3)no2)s1.Cl
InChIInChI=1S/C13H15F2N3O2S.ClH/c1-7-6-8(19-12(14)15)9(21-7)10-17-11(18-20-10)13(16)4-2-3-5-13;/h6,12H,2-5,16H2,1H3;1H
InChIKeyMWGZMTTYKQWYHV-UHFFFAOYSA-N
XLogP3.86
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3-methoxy-5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857357
1-[5-[2-(difluoromethoxy)-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851776
1-[5-[2-(difluoromethoxy)-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859978
1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850426
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354307
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61351704
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65238308
1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853558
1-[5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853560
1-[5-[6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856823
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862526

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120851702) is 1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cc1cc(OC(F)F)c(-c2nc(C3(N)CCCC3)no2)s1.Cl.
What is the InChIKey of 1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is MWGZMTTYKQWYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S.ClH/c1-7-6-8(19-12(14)15)9(21-7)10-17-11(18-20-10)13(16)4-2-3-5-13;/h6,12H,2-5,16H2,1H3;1H.
What are the key properties of 1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 351.81 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120851702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).