1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C19H29ClN4O2 — CID 120850595

IUPAC1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCN(CC)CCOc1ccc(-c2nc(C3(N)CCCC3)no2)cc1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-3-23(4-2)13-14-24-16-9-7-15(8-10-16)17-21-18(22-25-17)19(20)11-5-6-12-19;/h7-10H,3-6,11-14,20H2,1-2H3;1H
InChIKeyCVLYSNAVCNHRIL-UHFFFAOYSA-N
MW380.92 g/mol
LogP3.61
Rot. Bonds8

About 1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120850595) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120850595
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCN(CC)CCOc1ccc(-c2nc(C3(N)CCCC3)no2)cc1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-3-23(4-2)13-14-24-16-9-7-15(8-10-16)17-21-18(22-25-17)19(20)11-5-6-12-19;/h7-10H,3-6,11-14,20H2,1-2H3;1H
InChIKeyCVLYSNAVCNHRIL-UHFFFAOYSA-N
XLogP3.61
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[4-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853576
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851362
1-[5-[4-(diethylaminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862052
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride
CID 120855787
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
CID 120850900
1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 62920379
1-[5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851081
1-[5-(3,4-dipropoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851442
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
CID 120859234

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120850595) is 1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is CCN(CC)CCOc1ccc(-c2nc(C3(N)CCCC3)no2)cc1.Cl.
What is the InChIKey of 1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is CVLYSNAVCNHRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-3-23(4-2)13-14-24-16-9-7-15(8-10-16)17-21-18(22-25-17)19(20)11-5-6-12-19;/h7-10H,3-6,11-14,20H2,1-2H3;1H.
What are the key properties of 1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120850595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).