1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C10H12ClIN4O — CID 137096064

IUPAC1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3cc(I)c[nH]3)n2)CCC1
InChIInChI=1S/C10H11IN4O.ClH/c11-6-4-7(13-5-6)8-14-9(15-16-8)10(12)2-1-3-10;/h4-5,13H,1-3,12H2;1H
InChIKeyUNGQWXRLGRVCOZ-UHFFFAOYSA-N
MW366.59 g/mol
LogP2.43
Rot. Bonds2

About 1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 137096064) has the molecular formula C10H12ClIN4O and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID137096064
Molecular FormulaC10H12ClIN4O
Molecular Weight366.59 g/mol
Exact Mass365.97
IUPAC Name1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3cc(I)c[nH]3)n2)CCC1
InChIInChI=1S/C10H11IN4O.ClH/c11-6-4-7(13-5-6)8-14-9(15-16-8)10(12)2-1-3-10;/h4-5,13H,1-3,12H2;1H
InChIKeyUNGQWXRLGRVCOZ-UHFFFAOYSA-N
XLogP2.43
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 137031633
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CID 120860494
1-[5-(2-chloro-5-iodophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860016
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 63078918
1-[5-(5-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860423
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride
CID 120852980
1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857352
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864382
1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855437
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride
CID 137096058
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 137096064) is 1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3cc(I)c[nH]3)n2)CCC1.
What is the InChIKey of 1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is UNGQWXRLGRVCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O.ClH/c11-6-4-7(13-5-6)8-14-9(15-16-8)10(12)2-1-3-10;/h4-5,13H,1-3,12H2;1H.
What are the key properties of 1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 366.59 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 137096064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).