5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

C14H13ClN4OS — CID 46574980

IUPAC5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCCn1ccnc1SCc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H13ClN4OS/c1-2-19-8-7-16-14(19)21-9-12-17-13(20-18-12)10-5-3-4-6-11(10)15/h3-8H,2,9H2,1H3
InChIKeyHBYCOLHWMIBUHM-UHFFFAOYSA-N
MW320.81 g/mol
LogP3.90
Rot. Bonds5

About 5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 46574980) has the molecular formula C14H13ClN4OS and a molecular weight of 320.81 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID46574980
Molecular FormulaC14H13ClN4OS
Molecular Weight320.81 g/mol
Exact Mass320.05
IUPAC Name5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCCn1ccnc1SCc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H13ClN4OS/c1-2-19-8-7-16-14(19)21-9-12-17-13(20-18-12)10-5-3-4-6-11(10)15/h3-8H,2,9H2,1H3
InChIKeyHBYCOLHWMIBUHM-UHFFFAOYSA-N
XLogP3.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 46574980) is 5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is CCn1ccnc1SCc1noc(-c2ccccc2Cl)n1.
What is the InChIKey of 5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is HBYCOLHWMIBUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS/c1-2-19-8-7-16-14(19)21-9-12-17-13(20-18-12)10-5-3-4-6-11(10)15/h3-8H,2,9H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 320.81 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46574980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).