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

C16H9F3N4O2S — CID 138489714

IUPACN-(3-cyano-5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCc1cc(C#N)c(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)s1
InChIInChI=1S/C16H9F3N4O2S/c1-8-6-11(7-20)14(26-8)22-13(24)10-4-2-9(3-5-10)12-21-15(25-23-12)16(17,18)19/h2-6H,1H3,(H,22,24)
InChIKeyIEMDACIGODMBHM-UHFFFAOYSA-N
MW378.34 g/mol
LogP4.25
Rot. Bonds3

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

N-(3-cyano-5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 138489714) has the molecular formula C16H9F3N4O2S and a molecular weight of 378.34 g/mol. Its IUPAC name is N-(3-cyano-5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(3-cyano-5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID138489714
Molecular FormulaC16H9F3N4O2S
Molecular Weight378.34 g/mol
Exact Mass378.04
IUPAC NameN-(3-cyano-5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCc1cc(C#N)c(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)s1
InChIInChI=1S/C16H9F3N4O2S/c1-8-6-11(7-20)14(26-8)22-13(24)10-4-2-9(3-5-10)12-21-15(25-23-12)16(17,18)19/h2-6H,1H3,(H,22,24)
InChIKeyIEMDACIGODMBHM-UHFFFAOYSA-N
XLogP4.25
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-(3-cyano-5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 138489714) is N-(3-cyano-5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-(3-cyano-5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-(3-cyano-5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is Cc1cc(C#N)c(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)s1.
What is the InChIKey of N-(3-cyano-5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is IEMDACIGODMBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4O2S/c1-8-6-11(7-20)14(26-8)22-13(24)10-4-2-9(3-5-10)12-21-15(25-23-12)16(17,18)19/h2-6H,1H3,(H,22,24).
What are the key properties of N-(3-cyano-5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-(3-cyano-5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 378.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 138489714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).