N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride

C15H20Cl2N4O2 — CID 120851801

IUPACN-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride
SMILESCOc1ccc(Cl)cc1NCc1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C15H19ClN4O2.ClH/c1-21-12-5-4-10(16)8-11(12)18-9-13-19-14(20-22-13)15(17)6-2-3-7-15;/h4-5,8,18H,2-3,6-7,9,17H2,1H3;1H
InChIKeyZTUJUMDVNHHVAW-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.49
Rot. Bonds5

About N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride

N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride (PubChem CID 120851801) has the molecular formula C15H20Cl2N4O2 and a molecular weight of 359.26 g/mol. Its IUPAC name is N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride.

Molecular Properties

Compound NameN-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride
PubChem CID120851801
Molecular FormulaC15H20Cl2N4O2
Molecular Weight359.26 g/mol
Exact Mass358.10
IUPAC NameN-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride
SMILESCOc1ccc(Cl)cc1NCc1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C15H19ClN4O2.ClH/c1-21-12-5-4-10(16)8-11(12)18-9-13-19-14(20-22-13)15(17)6-2-3-7-15;/h4-5,8,18H,2-3,6-7,9,17H2,1H3;1H
InChIKeyZTUJUMDVNHHVAW-UHFFFAOYSA-N
XLogP3.49
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(5-chloro-2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862598
1-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353693
1-[5-[2-(3-chloro-4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851225
5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride
CID 120865950
1-[5-[2-(3,4-dimethoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851751
1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853984
1-[5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856616
1-[5-[(2-methoxy-5-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860451
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide
CID 120850243
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352533
1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857482
1-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62229473

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride?
The IUPAC name of N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride (CID 120851801) is N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride.
What is the SMILES notation for N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride?
The canonical SMILES for N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride is COc1ccc(Cl)cc1NCc1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride?
The InChIKey is ZTUJUMDVNHHVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2.ClH/c1-21-12-5-4-10(16)8-11(12)18-9-13-19-14(20-22-13)15(17)6-2-3-7-15;/h4-5,8,18H,2-3,6-7,9,17H2,1H3;1H.
What are the key properties of N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride?
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride has a molecular weight of 359.26 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride is sourced from PubChem (CID 120851801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).