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

C16H14ClN3O2S — CID 53042283

IUPAC4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide
SMILESCCc1nc(-c2cc(NC(=O)c3ccc(Cl)cc3)c(C)s2)no1
InChIInChI=1S/C16H14ClN3O2S/c1-3-14-19-15(20-22-14)13-8-12(9(2)23-13)18-16(21)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3,(H,18,21)
InChIKeyMAXRSDZENILZNR-UHFFFAOYSA-N
MW347.83 g/mol
LogP4.57
Rot. Bonds4

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

4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide (PubChem CID 53042283) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide
PubChem CID53042283
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide
SMILESCCc1nc(-c2cc(NC(=O)c3ccc(Cl)cc3)c(C)s2)no1
InChIInChI=1S/C16H14ClN3O2S/c1-3-14-19-15(20-22-14)13-8-12(9(2)23-13)18-16(21)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3,(H,18,21)
InChIKeyMAXRSDZENILZNR-UHFFFAOYSA-N
XLogP4.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~2~-[4-(5-Phenethyl-1,2,4-oxadiazol-3-YL)phenyl]-2-thiophenecarboxamide
CID 1292624
2-(((3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)thio)-3-(p-tolyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 27373189
2-(2-Chlorophenyl)-N-(2-{[3-(thiophen-2-YL)-1,2,4-oxadiazol-5-YL]methyl}phenyl)acetamide
CID 71800634
5-chloro-N-(2-((3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl)phenyl)thiophene-2-carboxamide
CID 72717377
2-(((3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)thio)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135908904
2-(((3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)thio)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135908905
3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
CID 53009259
4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
CID 53009260
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-3-carboxamide
CID 53041766
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
CID 53042244
3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
CID 53042253
N-[5-(5-Ethyl-1,2,4-oxadiazol-3-YL)-2-methylthiophen-3-YL]-2-[(4-methylphenyl)formamido]acetamide
CID 53042263

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide (CID 53042283) is 4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide is CCc1nc(-c2cc(NC(=O)c3ccc(Cl)cc3)c(C)s2)no1.
What is the InChIKey of 4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide?
The InChIKey is MAXRSDZENILZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-3-14-19-15(20-22-14)13-8-12(9(2)23-13)18-16(21)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3,(H,18,21).
What are the key properties of 4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide?
4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide has a molecular weight of 347.83 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide is sourced from PubChem (CID 53042283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).