N-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C16H10F3N3O3S — CID 68508510

IUPACN-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(-c3ccc(C(=O)C(F)(F)F)s3)n2)cc1
InChIInChI=1S/C16H10F3N3O3S/c1-8(23)20-10-4-2-9(3-5-10)14-21-15(25-22-14)12-7-6-11(26-12)13(24)16(17,18)19/h2-7H,1H3,(H,20,23)
InChIKeyYADZHFUZRSHHRR-UHFFFAOYSA-N
MW381.34 g/mol
LogP4.17
Rot. Bonds4

About N-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 68508510) has the molecular formula C16H10F3N3O3S and a molecular weight of 381.34 g/mol. Its IUPAC name is N-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID68508510
Molecular FormulaC16H10F3N3O3S
Molecular Weight381.34 g/mol
Exact Mass381.04
IUPAC NameN-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(-c3ccc(C(=O)C(F)(F)F)s3)n2)cc1
InChIInChI=1S/C16H10F3N3O3S/c1-8(23)20-10-4-2-9(3-5-10)14-21-15(25-22-14)12-7-6-11(26-12)13(24)16(17,18)19/h2-7H,1H3,(H,20,23)
InChIKeyYADZHFUZRSHHRR-UHFFFAOYSA-N
XLogP4.17
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 68508510) is N-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2noc(-c3ccc(C(=O)C(F)(F)F)s3)n2)cc1.
What is the InChIKey of N-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is YADZHFUZRSHHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O3S/c1-8(23)20-10-4-2-9(3-5-10)14-21-15(25-22-14)12-7-6-11(26-12)13(24)16(17,18)19/h2-7H,1H3,(H,20,23).
What are the key properties of N-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 381.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 68508510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).