4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine

C14H16ClN3OS — CID 83201148

IUPAC4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
SMILESCCNC1CSCC1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C14H16ClN3OS/c1-2-16-12-8-20-7-11(12)14-17-13(18-19-14)9-4-3-5-10(15)6-9/h3-6,11-12,16H,2,7-8H2,1H3
InChIKeyOQFGEMCVNJMTHC-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.20
Rot. Bonds4

About 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine

4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine (PubChem CID 83201148) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
PubChem CID83201148
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
SMILESCCNC1CSCC1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C14H16ClN3OS/c1-2-16-12-8-20-7-11(12)14-17-13(18-19-14)9-4-3-5-10(15)6-9/h3-6,11-12,16H,2,7-8H2,1H3
InChIKeyOQFGEMCVNJMTHC-UHFFFAOYSA-N
XLogP3.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201685
N-ethyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200652
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348400
4-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83191941
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83191954
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201040
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine
CID 83201313
N-ethyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83192086
N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 116809201
3-(3-chlorophenyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole
CID 6946164
N-ethyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83191950
4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol
CID 83191804

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine?
The IUPAC name of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine (CID 83201148) is 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine.
What is the SMILES notation for 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine?
The canonical SMILES for 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine is CCNC1CSCC1c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine?
The InChIKey is OQFGEMCVNJMTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-2-16-12-8-20-7-11(12)14-17-13(18-19-14)9-4-3-5-10(15)6-9/h3-6,11-12,16H,2,7-8H2,1H3.
What are the key properties of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine?
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine has a molecular weight of 309.82 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine is sourced from PubChem (CID 83201148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).