1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide

C19H16F3N3O3S — CID 52904157

IUPAC1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(OC(F)(F)F)cc2)o1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H16F3N3O3S/c20-19(21,22)28-13-7-5-12(6-8-13)15-24-25-17(27-15)23-16(26)18(9-1-2-10-18)14-4-3-11-29-14/h3-8,11H,1-2,9-10H2,(H,23,25,26)
InChIKeyQDWRSYXQEBQVJY-UHFFFAOYSA-N
MW423.42 g/mol
LogP5.15
Rot. Bonds5

About 1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide

1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide (PubChem CID 52904157) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
PubChem CID52904157
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC Name1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(OC(F)(F)F)cc2)o1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H16F3N3O3S/c20-19(21,22)28-13-7-5-12(6-8-13)15-24-25-17(27-15)23-16(26)18(9-1-2-10-18)14-4-3-11-29-14/h3-8,11H,1-2,9-10H2,(H,23,25,26)
InChIKeyQDWRSYXQEBQVJY-UHFFFAOYSA-N
XLogP5.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide (CID 52904157) is 1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide is O=C(Nc1nnc(-c2ccc(OC(F)(F)F)cc2)o1)C1(c2cccs2)CCCC1.
What is the InChIKey of 1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide?
The InChIKey is QDWRSYXQEBQVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c20-19(21,22)28-13-7-5-12(6-8-13)15-24-25-17(27-15)23-16(26)18(9-1-2-10-18)14-4-3-11-29-14/h3-8,11H,1-2,9-10H2,(H,23,25,26).
What are the key properties of 1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide?
1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 52904157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).