4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride

C14H18ClN3O3 — CID 120854814

IUPAC4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride
SMILESCl.NC1(c2noc(COc3ccc(O)cc3)n2)CCCC1
InChIInChI=1S/C14H17N3O3.ClH/c15-14(7-1-2-8-14)13-16-12(20-17-13)9-19-11-5-3-10(18)4-6-11;/h3-6,18H,1-2,7-9,15H2;1H
InChIKeyHKVOEJBVHUICRD-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.50
Rot. Bonds4

About 4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride

4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride (PubChem CID 120854814) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride.

Molecular Properties

Compound Name4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride
PubChem CID120854814
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride
SMILESCl.NC1(c2noc(COc3ccc(O)cc3)n2)CCCC1
InChIInChI=1S/C14H17N3O3.ClH/c15-14(7-1-2-8-14)13-16-12(20-17-13)9-19-11-5-3-10(18)4-6-11;/h3-6,18H,1-2,7-9,15H2;1H
InChIKeyHKVOEJBVHUICRD-UHFFFAOYSA-N
XLogP2.50
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[(4-tert-butylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853869
1-[5-[(4-phenylmethoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854824
1-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859393
[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-phenylmethanone
CID 120860952
1-[5-[(4-nitrophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861869
1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851047
1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857455
1-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62229473
1-[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859398
1-[5-[(3-nitrophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854893
1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61352710
1-[5-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862580

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride?
The IUPAC name of 4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride (CID 120854814) is 4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride.
What is the SMILES notation for 4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride?
The canonical SMILES for 4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride is Cl.NC1(c2noc(COc3ccc(O)cc3)n2)CCCC1.
What is the InChIKey of 4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride?
The InChIKey is HKVOEJBVHUICRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.ClH/c15-14(7-1-2-8-14)13-16-12(20-17-13)9-19-11-5-3-10(18)4-6-11;/h3-6,18H,1-2,7-9,15H2;1H.
What are the key properties of 4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride?
4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride is sourced from PubChem (CID 120854814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).