5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

C14H12ClN3O2S — CID 155948157

IUPAC5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESC[C@H](Oc1ccc(Cl)nc1)c1nc(Cc2cccs2)no1
InChIInChI=1S/C14H12ClN3O2S/c1-9(19-10-4-5-12(15)16-8-10)14-17-13(18-20-14)7-11-3-2-6-21-11/h2-6,8-9H,7H2,1H3/t9-/m0/s1
InChIKeyDYOPQOQEQGMHNM-VIFPVBQESA-N
MW321.79 g/mol
LogP3.91
Rot. Bonds5

About 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 155948157) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID155948157
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESC[C@H](Oc1ccc(Cl)nc1)c1nc(Cc2cccs2)no1
InChIInChI=1S/C14H12ClN3O2S/c1-9(19-10-4-5-12(15)16-8-10)14-17-13(18-20-14)7-11-3-2-6-21-11/h2-6,8-9H,7H2,1H3/t9-/m0/s1
InChIKeyDYOPQOQEQGMHNM-VIFPVBQESA-N
XLogP3.91
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole 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

(1R)-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 94458021
5-(diethoxymethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 55243059
5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole
CID 155956495
N-methyl-2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63559720
5-[1-(4-ethoxyphenoxy)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78853239
2-chloro-5-(thiophen-2-ylmethyl)pyridine
CID 20981421
3-methylsulfanyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55079446
(1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115288903
1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865529
5-methoxy-2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411805
3-methyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344735
(1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 94587586

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (CID 155948157) is 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is C[C@H](Oc1ccc(Cl)nc1)c1nc(Cc2cccs2)no1.
What is the InChIKey of 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is DYOPQOQEQGMHNM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c1-9(19-10-4-5-12(15)16-8-10)14-17-13(18-20-14)7-11-3-2-6-21-11/h2-6,8-9H,7H2,1H3/t9-/m0/s1.
What are the key properties of 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 321.79 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155948157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).