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

C17H18ClN3O3 — CID 155538089

IUPAC4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride
SMILESCl.NCCCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C17H17N3O3.ClH/c18-10-1-11-22-15-8-4-12(5-9-15)16-19-17(23-20-16)13-2-6-14(21)7-3-13;/h2-9,21H,1,10-11,18H2;1H
InChIKeyNNPOZEHBVUMUJL-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.26
Rot. Bonds6

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

4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride (PubChem CID 155538089) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride
PubChem CID155538089
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride
SMILESCl.NCCCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C17H17N3O3.ClH/c18-10-1-11-22-15-8-4-12(5-9-15)16-19-17(23-20-16)13-2-6-14(21)7-3-13;/h2-9,21H,1,10-11,18H2;1H
InChIKeyNNPOZEHBVUMUJL-UHFFFAOYSA-N
XLogP3.26
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]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

4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole
CID 46044140
octyl 4-[5-[4-(4-decoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 102137833
3-(4-heptoxyphenyl)-5-(4-heptylphenyl)-1,2,4-oxadiazole
CID 3095312
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
[4-[5-[4-(4-decoxybenzoyl)oxyphenyl]-1,2,4-oxadiazol-3-yl]phenyl] 4-decoxybenzoate
CID 132607487
[4-[5-[4-(4-nonoxybenzoyl)oxyphenyl]-1,2,4-oxadiazol-3-yl]phenyl] 4-nonoxybenzoate
CID 101493245
2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328461
3-[4-(1,2,4,5-tetrazin-3-yl)phenoxy]propan-1-amine;hydrochloride
CID 170905342
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 161251366
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride?
The IUPAC name of 4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride (CID 155538089) is 4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride.
What is the SMILES notation for 4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride?
The canonical SMILES for 4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride is Cl.NCCCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride?
The InChIKey is NNPOZEHBVUMUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3.ClH/c18-10-1-11-22-15-8-4-12(5-9-15)16-19-17(23-20-16)13-2-6-14(21)7-3-13;/h2-9,21H,1,10-11,18H2;1H.
What are the key properties of 4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride?
4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride has a molecular weight of 347.80 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride is sourced from PubChem (CID 155538089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).