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

C20H21N5O2S — CID 120856823

IUPAC1-[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
SMILESCc1cc(-c2cc(-c3nc(C4(N)CCCC4)no3)c3c(C)noc3n2)c(C)s1
InChIInChI=1S/C20H21N5O2S/c1-10-8-13(12(3)28-10)15-9-14(16-11(2)24-27-18(16)22-15)17-23-19(25-26-17)20(21)6-4-5-7-20/h8-9H,4-7,21H2,1-3H3
InChIKeyNUPZILMKQWYNCH-UHFFFAOYSA-N
MW395.49 g/mol
LogP4.65
Rot. Bonds3

About 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

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 (PubChem CID 120856823) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID120856823
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name1-[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
SMILESCc1cc(-c2cc(-c3nc(C4(N)CCCC4)no3)c3c(C)noc3n2)c(C)s1
InChIInChI=1S/C20H21N5O2S/c1-10-8-13(12(3)28-10)15-9-14(16-11(2)24-27-18(16)22-15)17-23-19(25-26-17)20(21)6-4-5-7-20/h8-9H,4-7,21H2,1-3H3
InChIKeyNUPZILMKQWYNCH-UHFFFAOYSA-N
XLogP4.65
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

1-[5-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863234
1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104672150
1-[5-(3-methoxy-5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857357
1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 91653370
1-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65238308
1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864500
1-[5-[3-(difluoromethoxy)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851702
1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65198755
(4-aminopiperidin-1-yl)-[6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 119375060
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 107965364
(2,2-dichlorocyclopropyl)methyl 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18158226

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cc(-c3nc(C4(N)CCCC4)no3)c3c(C)noc3n2)c(C)s1.
What is the InChIKey of 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?
The InChIKey is NUPZILMKQWYNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-10-8-13(12(3)28-10)15-9-14(16-11(2)24-27-18(16)22-15)17-23-19(25-26-17)20(21)6-4-5-7-20/h8-9H,4-7,21H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 395.49 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 120856823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).