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

C17H22ClN5O3 — CID 120852681

IUPAC1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride
SMILESCOc1ccc(-c2nc(C3(N)CCCC3)no2)cc1N1CCNC1=O.Cl
InChIInChI=1S/C17H21N5O3.ClH/c1-24-13-5-4-11(10-12(13)22-9-8-19-16(22)23)14-20-15(21-25-14)17(18)6-2-3-7-17;/h4-5,10H,2-3,6-9,18H2,1H3,(H,19,23);1H
InChIKeyNZLIHKRMXHVNQN-UHFFFAOYSA-N
MW379.85 g/mol
LogP2.42
Rot. Bonds4

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

1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride (PubChem CID 120852681) has the molecular formula C17H22ClN5O3 and a molecular weight of 379.85 g/mol. Its IUPAC name is 1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride
PubChem CID120852681
Molecular FormulaC17H22ClN5O3
Molecular Weight379.85 g/mol
Exact Mass379.14
IUPAC Name1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride
SMILESCOc1ccc(-c2nc(C3(N)CCCC3)no2)cc1N1CCNC1=O.Cl
InChIInChI=1S/C17H21N5O3.ClH/c1-24-13-5-4-11(10-12(13)22-9-8-19-16(22)23)14-20-15(21-25-14)17(18)6-2-3-7-17;/h4-5,10H,2-3,6-9,18H2,1H3,(H,19,23);1H
InChIKeyNZLIHKRMXHVNQN-UHFFFAOYSA-N
XLogP2.42
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chlorophenyl]imidazolidin-2-one
CID 120861574
1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861722
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856611
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856501
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide
CID 120853225
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride
CID 120853662
1-[5-(3,4-dipropoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851442
1-[5-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862714
1-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859350

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride (CID 120852681) is 1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride is COc1ccc(-c2nc(C3(N)CCCC3)no2)cc1N1CCNC1=O.Cl.
What is the InChIKey of 1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride?
The InChIKey is NZLIHKRMXHVNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3.ClH/c1-24-13-5-4-11(10-12(13)22-9-8-19-16(22)23)14-20-15(21-25-14)17(18)6-2-3-7-17;/h4-5,10H,2-3,6-9,18H2,1H3,(H,19,23);1H.
What are the key properties of 1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride?
1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride has a molecular weight of 379.85 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 120852681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).