3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

C15H9ClN4O3S — CID 34773490

IUPAC3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccs2)nn1Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C15H9ClN4O3S/c16-10-4-1-3-9(7-10)13-17-12(23-19-13)8-20-15(21)22-14(18-20)11-5-2-6-24-11/h1-7H,8H2
InChIKeyURGLUZHWDDYNID-UHFFFAOYSA-N
MW360.78 g/mol
LogP3.32
Rot. Bonds4

About 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (PubChem CID 34773490) has the molecular formula C15H9ClN4O3S and a molecular weight of 360.78 g/mol. Its IUPAC name is 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
PubChem CID34773490
Molecular FormulaC15H9ClN4O3S
Molecular Weight360.78 g/mol
Exact Mass360.01
IUPAC Name3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccs2)nn1Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C15H9ClN4O3S/c16-10-4-1-3-9(7-10)13-17-12(23-19-13)8-20-15(21)22-14(18-20)11-5-2-6-24-11/h1-7H,8H2
InChIKeyURGLUZHWDDYNID-UHFFFAOYSA-N
XLogP3.32
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 9291181
5-tert-butyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 71969957
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 60561572
3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17490289
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 24522597
3-[(5-bromo-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 47448978
3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxophthalazine-1-carboxylic acid
CID 16610988
3-[(3-chlorophenyl)methyl]-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 50786946
3-[(7-methyl-2-oxochromen-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 26550611
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 55505448
3-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 51259430
3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 26053848

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (CID 34773490) is 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is O=c1oc(-c2cccs2)nn1Cc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The InChIKey is URGLUZHWDDYNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O3S/c16-10-4-1-3-9(7-10)13-17-12(23-19-13)8-20-15(21)22-14(18-20)11-5-2-6-24-11/h1-7H,8H2.
What are the key properties of 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one has a molecular weight of 360.78 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 34773490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).