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

C16H19Cl2N5O2 — CID 120853662

IUPAC1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride
SMILESCl.NC1(c2noc(-c3cc(N4CCNC4=O)ccc3Cl)n2)CCCC1
InChIInChI=1S/C16H18ClN5O2.ClH/c17-12-4-3-10(22-8-7-19-15(22)23)9-11(12)13-20-14(21-24-13)16(18)5-1-2-6-16;/h3-4,9H,1-2,5-8,18H2,(H,19,23);1H
InChIKeyFXABXUKFZMSICB-UHFFFAOYSA-N
MW384.27 g/mol
LogP3.07
Rot. Bonds3

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

1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride (PubChem CID 120853662) has the molecular formula C16H19Cl2N5O2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride
PubChem CID120853662
Molecular FormulaC16H19Cl2N5O2
Molecular Weight384.27 g/mol
Exact Mass383.09
IUPAC Name1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride
SMILESCl.NC1(c2noc(-c3cc(N4CCNC4=O)ccc3Cl)n2)CCCC1
InChIInChI=1S/C16H18ClN5O2.ClH/c17-12-4-3-10(22-8-7-19-15(22)23)9-11(12)13-20-14(21-24-13)16(18)5-1-2-6-16;/h3-4,9H,1-2,5-8,18H2,(H,19,23);1H
InChIKeyFXABXUKFZMSICB-UHFFFAOYSA-N
XLogP3.07
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one
CID 120863106
1-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chlorophenyl]imidazolidin-2-one
CID 120861574
1-[5-(2-chloro-5-iodophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860016
1-[5-(2-chloro-5-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851298
1-[5-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863340
1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride
CID 120852681
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N,N-diethylbenzenesulfonamide
CID 120854040
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 106689441
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 120856091
1-[5-(2,4-dichloro-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862076

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride (CID 120853662) is 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride is Cl.NC1(c2noc(-c3cc(N4CCNC4=O)ccc3Cl)n2)CCCC1.
What is the InChIKey of 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride?
The InChIKey is FXABXUKFZMSICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2.ClH/c17-12-4-3-10(22-8-7-19-15(22)23)9-11(12)13-20-14(21-24-13)16(18)5-1-2-6-16;/h3-4,9H,1-2,5-8,18H2,(H,19,23);1H.
What are the key properties of 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride?
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride has a molecular weight of 384.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 120853662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).