3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride

C18H24ClN3O2 — CID 120850125

IUPAC3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride
SMILESCc1ccc(C)c(C(=O)CCc2nc(C3(N)CCCC3)no2)c1.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-12-5-6-13(2)14(11-12)15(22)7-8-16-20-17(21-23-16)18(19)9-3-4-10-18;/h5-6,11H,3-4,7-10,19H2,1-2H3;1H
InChIKeySPQRUZUYYOUWHQ-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.65
Rot. Bonds5

About 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride

3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride (PubChem CID 120850125) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride
PubChem CID120850125
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride
SMILESCc1ccc(C)c(C(=O)CCc2nc(C3(N)CCCC3)no2)c1.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-12-5-6-13(2)14(11-12)15(22)7-8-16-20-17(21-23-16)18(19)9-3-4-10-18;/h5-6,11H,3-4,7-10,19H2,1-2H3;1H
InChIKeySPQRUZUYYOUWHQ-UHFFFAOYSA-N
XLogP3.65
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride
CID 120858607
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 120852961
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
3-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one
CID 120893037
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 120852871
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120855248
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2,5-dimethylphenyl)methanone;hydrochloride
CID 120858811
1-(2,5-dimethylphenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 120961286
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride
CID 120851873
1-[5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858621
1-[5-[2-(2-bromo-4-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864528
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 120859363

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride (CID 120850125) is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride is Cc1ccc(C)c(C(=O)CCc2nc(C3(N)CCCC3)no2)c1.Cl.
What is the InChIKey of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride?
The InChIKey is SPQRUZUYYOUWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.ClH/c1-12-5-6-13(2)14(11-12)15(22)7-8-16-20-17(21-23-16)18(19)9-3-4-10-18;/h5-6,11H,3-4,7-10,19H2,1-2H3;1H.
What are the key properties of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride?
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 120850125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).