N-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide

C20H16ClF3N4O3 — CID 140850357

IUPACN-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide
SMILESO=C(NC1(c2nc(-c3ccc(OC(F)(F)F)cc3)no2)CCCC1Cl)c1cccnc1
InChIInChI=1S/C20H16ClF3N4O3/c21-15-4-1-9-19(15,27-17(29)13-3-2-10-25-11-13)18-26-16(28-31-18)12-5-7-14(8-6-12)30-20(22,23)24/h2-3,5-8,10-11,15H,1,4,9H2,(H,27,29)
InChIKeySTXGBFLYKAGUNX-UHFFFAOYSA-N
MW452.82 g/mol
LogP4.45
Rot. Bonds5

About N-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide

N-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide (PubChem CID 140850357) has the molecular formula C20H16ClF3N4O3 and a molecular weight of 452.82 g/mol. Its IUPAC name is N-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide
PubChem CID140850357
Molecular FormulaC20H16ClF3N4O3
Molecular Weight452.82 g/mol
Exact Mass452.09
IUPAC NameN-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide
SMILESO=C(NC1(c2nc(-c3ccc(OC(F)(F)F)cc3)no2)CCCC1Cl)c1cccnc1
InChIInChI=1S/C20H16ClF3N4O3/c21-15-4-1-9-19(15,27-17(29)13-3-2-10-25-11-13)18-26-16(28-31-18)12-5-7-14(8-6-12)30-20(22,23)24/h2-3,5-8,10-11,15H,1,4,9H2,(H,27,29)
InChIKeySTXGBFLYKAGUNX-UHFFFAOYSA-N
XLogP4.45
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide
CID 122581643
4-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]cyclohepta-1,3,5-triene-1-carboxamide
CID 167046686
1,3-dimethyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 138055408
3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide
CID 2744635
1-(pyridin-3-ylmethyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74506679
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 46321383
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide
CID 53182024
N-[(2-chlorophenyl)methylideneamino]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 2744636
N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]pyridine-3-carboxamide
CID 21203387
N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 21203373
ethyl 2,2-dimethyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-dioxane-5-carboxylate
CID 122581746
4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide
CID 162597130

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide (CID 140850357) is N-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide is O=C(NC1(c2nc(-c3ccc(OC(F)(F)F)cc3)no2)CCCC1Cl)c1cccnc1.
What is the InChIKey of N-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide?
The InChIKey is STXGBFLYKAGUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O3/c21-15-4-1-9-19(15,27-17(29)13-3-2-10-25-11-13)18-26-16(28-31-18)12-5-7-14(8-6-12)30-20(22,23)24/h2-3,5-8,10-11,15H,1,4,9H2,(H,27,29).
What are the key properties of N-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide?
N-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide has a molecular weight of 452.82 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 140850357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).