2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride

C14H20ClN3O3 — CID 70129437

IUPAC2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride
SMILESCCCC(N)C(O)c1nnc(-c2ccc(OC)cc2)o1.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-3-4-11(15)12(18)14-17-16-13(20-14)9-5-7-10(19-2)8-6-9;/h5-8,11-12,18H,3-4,15H2,1-2H3;1H
InChIKeyXZTSJNWZAZNBFK-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.33
Rot. Bonds6

About 2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride

2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride (PubChem CID 70129437) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride
PubChem CID70129437
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride
SMILESCCCC(N)C(O)c1nnc(-c2ccc(OC)cc2)o1.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-3-4-11(15)12(18)14-17-16-13(20-14)9-5-7-10(19-2)8-6-9;/h5-8,11-12,18H,3-4,15H2,1-2H3;1H
InChIKeyXZTSJNWZAZNBFK-UHFFFAOYSA-N
XLogP2.33
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;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

(1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol
CID 70129441
(1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol
CID 70130064
2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363348
2-(1-bromopropyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 62856196
2-(4-methoxyphenyl)-5-[(1R)-1-phenylsulfanylethyl]-1,3,4-oxadiazole
CID 9007491
(2S)-2-amino-3-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanoic acid
CID 162650291
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 8582003
2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole
CID 20778406
5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 9199584
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride?
The IUPAC name of 2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride (CID 70129437) is 2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride is CCCC(N)C(O)c1nnc(-c2ccc(OC)cc2)o1.Cl.
What is the InChIKey of 2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride?
The InChIKey is XZTSJNWZAZNBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-3-4-11(15)12(18)14-17-16-13(20-14)9-5-7-10(19-2)8-6-9;/h5-8,11-12,18H,3-4,15H2,1-2H3;1H.
What are the key properties of 2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride?
2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride has a molecular weight of 313.79 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride is sourced from PubChem (CID 70129437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).