1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C21H21N5OS — CID 120850110

IUPAC1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3ccc(SCc4cn5ccccc5n4)cc3)n2)CCCC1
InChIInChI=1S/C21H21N5OS/c22-21(10-2-3-11-21)20-24-19(27-25-20)15-6-8-17(9-7-15)28-14-16-13-26-12-4-1-5-18(26)23-16/h1,4-9,12-13H,2-3,10-11,14,22H2
InChIKeyDYKQONZYYPUHHH-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.40
Rot. Bonds5

About 1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120850110) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120850110
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3ccc(SCc4cn5ccccc5n4)cc3)n2)CCCC1
InChIInChI=1S/C21H21N5OS/c22-21(10-2-3-11-21)20-24-19(27-25-20)15-6-8-17(9-7-15)28-14-16-13-26-12-4-1-5-18(26)23-16/h1,4-9,12-13H,2-3,10-11,14,22H2
InChIKeyDYKQONZYYPUHHH-UHFFFAOYSA-N
XLogP4.40
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 120856663
1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862646
1-(5-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine
CID 120864086
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
CID 113384643
1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856871
1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 79212212
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
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-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851270
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120850110) is 1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(-c3ccc(SCc4cn5ccccc5n4)cc3)n2)CCCC1.
What is the InChIKey of 1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is DYKQONZYYPUHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c22-21(10-2-3-11-21)20-24-19(27-25-20)15-6-8-17(9-7-15)28-14-16-13-26-12-4-1-5-18(26)23-16/h1,4-9,12-13H,2-3,10-11,14,22H2.
What are the key properties of 1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 391.50 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120850110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).