3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide

C14H10ClN3O2S — CID 86264849

IUPAC3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
SMILESCc1noc(-c2ccsc2NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H10ClN3O2S/c1-8-16-13(20-18-8)11-5-6-21-14(11)17-12(19)9-3-2-4-10(15)7-9/h2-7H,1H3,(H,17,19)
InChIKeyTXMAKHSSNLZABB-UHFFFAOYSA-N
MW319.77 g/mol
LogP4.01
Rot. Bonds3

About 3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide

3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide (PubChem CID 86264849) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is 3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
PubChem CID86264849
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Name3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
SMILESCc1noc(-c2ccsc2NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H10ClN3O2S/c1-8-16-13(20-18-8)11-5-6-21-14(11)17-12(19)9-3-2-4-10(15)7-9/h2-7H,1H3,(H,17,19)
InChIKeyTXMAKHSSNLZABB-UHFFFAOYSA-N
XLogP4.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide (CID 86264849) is 3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide is Cc1noc(-c2ccsc2NC(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
The InChIKey is TXMAKHSSNLZABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c1-8-16-13(20-18-8)11-5-6-21-14(11)17-12(19)9-3-2-4-10(15)7-9/h2-7H,1H3,(H,17,19).
What are the key properties of 3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide has a molecular weight of 319.77 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 86264849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).