1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C19H18ClN3O2 — CID 120860993

IUPAC1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1c(-c2nc(C3(N)CCC3)no2)oc2c1ccc1ccccc12.Cl
InChIInChI=1S/C19H17N3O2.ClH/c1-11-13-8-7-12-5-2-3-6-14(12)16(13)23-15(11)17-21-18(22-24-17)19(20)9-4-10-19;/h2-3,5-8H,4,9-10,20H2,1H3;1H
InChIKeyOBGNUIPHNYXIAM-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.70
Rot. Bonds2

About 1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120860993) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120860993
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1c(-c2nc(C3(N)CCC3)no2)oc2c1ccc1ccccc12.Cl
InChIInChI=1S/C19H17N3O2.ClH/c1-11-13-8-7-12-5-2-3-6-14(12)16(13)23-15(11)17-21-18(22-24-17)19(20)9-4-10-19;/h2-3,5-8H,4,9-10,20H2,1H3;1H
InChIKeyOBGNUIPHNYXIAM-UHFFFAOYSA-N
XLogP4.70
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-methylquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859220
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856562
1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851915
1-[5-(4-methoxynaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862773
2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one
CID 167905774
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120863265
1-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850184
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride
CID 120852980
1-[5-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863686
1-[5-[2-(2-methylphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859836
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-6-bromo-4-methylchromen-2-one
CID 120851862

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120860993) is 1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cc1c(-c2nc(C3(N)CCC3)no2)oc2c1ccc1ccccc12.Cl.
What is the InChIKey of 1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is OBGNUIPHNYXIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2.ClH/c1-11-13-8-7-12-5-2-3-6-14(12)16(13)23-15(11)17-21-18(22-24-17)19(20)9-4-10-19;/h2-3,5-8H,4,9-10,20H2,1H3;1H.
What are the key properties of 1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 355.83 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120860993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).