1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C16H19N5OS — CID 120858738

IUPAC1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1ccc2nc(CSCc3nc(C4(N)CCC4)no3)cn2c1
InChIInChI=1S/C16H19N5OS/c1-11-3-4-13-18-12(8-21(13)7-11)9-23-10-14-19-15(20-22-14)16(17)5-2-6-16/h3-4,7-8H,2,5-6,9-10,17H2,1H3
InChIKeyVZOUVDHYBNAYPP-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.80
Rot. Bonds5

About 1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120858738) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120858738
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1ccc2nc(CSCc3nc(C4(N)CCC4)no3)cn2c1
InChIInChI=1S/C16H19N5OS/c1-11-3-4-13-18-12(8-21(13)7-11)9-23-10-14-19-15(20-22-14)16(17)5-2-6-16/h3-4,7-8H,2,5-6,9-10,17H2,1H3
InChIKeyVZOUVDHYBNAYPP-UHFFFAOYSA-N
XLogP2.80
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864253
1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856871
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride
CID 120855032
1-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859393
1-[5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858621
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
5,5-dimethyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidin-3-one
CID 99802995
1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850110
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone;dihydrochloride
CID 120659724
1-[5-[(2-methoxy-5-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860451
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone;dihydrochloride
CID 119485975
1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 79212212

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120858738) is 1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is Cc1ccc2nc(CSCc3nc(C4(N)CCC4)no3)cn2c1.
What is the InChIKey of 1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is VZOUVDHYBNAYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-11-3-4-13-18-12(8-21(13)7-11)9-23-10-14-19-15(20-22-14)16(17)5-2-6-16/h3-4,7-8H,2,5-6,9-10,17H2,1H3.
What are the key properties of 1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 329.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120858738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).