(5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C16H13F3N4O3S — CID 90540254

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCCC(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C16H13F3N4O3S/c17-16(18,19)15-21-20-13(25-15)9-3-1-5-23(8-9)14(24)10-7-11(26-22-10)12-4-2-6-27-12/h2,4,6-7,9H,1,3,5,8H2
InChIKeyIISLEVUDNUUZMJ-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.82
Rot. Bonds3

About (5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

(5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 90540254) has the molecular formula C16H13F3N4O3S and a molecular weight of 398.37 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID90540254
Molecular FormulaC16H13F3N4O3S
Molecular Weight398.37 g/mol
Exact Mass398.07
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCCC(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C16H13F3N4O3S/c17-16(18,19)15-21-20-13(25-15)9-3-1-5-23(8-9)14(24)10-7-11(26-22-10)12-4-2-6-27-12/h2,4,6-7,9H,1,3,5,8H2
InChIKeyIISLEVUDNUUZMJ-UHFFFAOYSA-N
XLogP3.82
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-Fluorophenyl)pyrrolidinyl 5-(2-thienyl)isoxazol-3-yl ketone
CID 45924498
2-(2-Fluorophenyl)pyrrolidinyl 5-(2-thienyl)isoxazol-3-yl ketone
CID 45924761
2-(4-Fluorophenyl)pyrrolidinyl 5-(2-thienyl)isoxazol-3-yl ketone
CID 45924853
(3-(5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(5-(thiophen-2-yl)isoxazol-3-yl)methanone
CID 71793103
(5-Methylisoxazol-3-yl)(3-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 44067664
3-(Propan-2-YL)-5-{1-[5-(thiophen-2-YL)-1,2-oxazole-3-carbonyl]pyrrolidin-2-YL}-1,2-oxazole
CID 47002097
(4-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(5-(thiophen-2-yl)isoxazol-3-yl)methanone
CID 71793083
(5-(Thiophen-2-yl)isoxazol-3-yl)(3-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 72717128
4-methyl-1-(1-(5-(thiophen-2-yl)isoxazole-3-carbonyl)piperidin-4-yl)-3-(trifluoromethyl)-1H-1,2,4-triazol-5(4H)-one
CID 119103223
(4-(2-Fluoroethyl)piperazin-1-yl)(5-(thiophen-2-yl)isoxazol-3-yl)methanone
CID 121021925
N-(3,3-difluoro-5-piperazin-1-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334766
N-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 146446920

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 90540254) is (5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1cc(-c2cccs2)on1)N1CCCC(c2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is IISLEVUDNUUZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3S/c17-16(18,19)15-21-20-13(25-15)9-3-1-5-23(8-9)14(24)10-7-11(26-22-10)12-4-2-6-27-12/h2,4,6-7,9H,1,3,5,8H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 398.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90540254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).