1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C17H18N4OS — CID 120857385

IUPAC1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1csc(-c2cccc(-c3nc(C4(N)CCCC4)no3)c2)n1
InChIInChI=1S/C17H18N4OS/c1-11-10-23-15(19-11)13-6-4-5-12(9-13)14-20-16(21-22-14)17(18)7-2-3-8-17/h4-6,9-10H,2-3,7-8,18H2,1H3
InChIKeyOOYNDCXGNGJPFN-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.90
Rot. Bonds3

About 1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120857385) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120857385
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1csc(-c2cccc(-c3nc(C4(N)CCCC4)no3)c2)n1
InChIInChI=1S/C17H18N4OS/c1-11-10-23-15(19-11)13-6-4-5-12(9-13)14-20-16(21-22-14)17(18)7-2-3-8-17/h4-6,9-10H,2-3,7-8,18H2,1H3
InChIKeyOOYNDCXGNGJPFN-UHFFFAOYSA-N
XLogP3.90
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863148
1-[5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856801
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-[3-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853378
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
1-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352509
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 62920379
1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855437
1-[5-[3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859176
1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850426

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120857385) is 1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1csc(-c2cccc(-c3nc(C4(N)CCCC4)no3)c2)n1.
What is the InChIKey of 1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is OOYNDCXGNGJPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-10-23-15(19-11)13-6-4-5-12(9-13)14-20-16(21-22-14)17(18)7-2-3-8-17/h4-6,9-10H,2-3,7-8,18H2,1H3.
What are the key properties of 1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 326.43 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120857385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).