3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol

C11H12ClN3O2 — CID 107836623

IUPAC3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESNCCC(O)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C11H12ClN3O2/c12-8-3-1-7(2-4-8)10-14-11(17-15-10)9(16)5-6-13/h1-4,9,16H,5-6,13H2
InChIKeyDASDSTHOLQSYJV-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.77
Rot. Bonds4

About 3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol

3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 107836623) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID107836623
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESNCCC(O)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C11H12ClN3O2/c12-8-3-1-7(2-4-8)10-14-11(17-15-10)9(16)5-6-13/h1-4,9,16H,5-6,13H2
InChIKeyDASDSTHOLQSYJV-UHFFFAOYSA-N
XLogP1.77
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol
CID 12569996
4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136755763
3-amino-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836732
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345393
3-amino-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114006924
4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenol
CID 136755757
3-amino-1-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837393
3-amino-1-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837454
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345437
3-amino-1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837079
3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836843
(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 93057298

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 107836623) is 3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is NCCC(O)c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is DASDSTHOLQSYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-8-3-1-7(2-4-8)10-14-11(17-15-10)9(16)5-6-13/h1-4,9,16H,5-6,13H2.
What are the key properties of 3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 253.69 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 107836623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).