5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole

C14H6ClF3N4O3 — CID 15957010

IUPAC5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)c1
InChIInChI=1S/C14H6ClF3N4O3/c15-10-3-2-8(22(23)24)5-9(10)13-20-12(21-25-13)11-4-1-7(6-19-11)14(16,17)18/h1-6H
InChIKeySGTZYYZUCVRPFJ-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.38
Rot. Bonds3

About 5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole

5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 15957010) has the molecular formula C14H6ClF3N4O3 and a molecular weight of 370.67 g/mol. Its IUPAC name is 5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID15957010
Molecular FormulaC14H6ClF3N4O3
Molecular Weight370.67 g/mol
Exact Mass370.01
IUPAC Name5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)c1
InChIInChI=1S/C14H6ClF3N4O3/c15-10-3-2-8(22(23)24)5-9(10)13-20-12(21-25-13)11-4-1-7(6-19-11)14(16,17)18/h1-6H
InChIKeySGTZYYZUCVRPFJ-UHFFFAOYSA-N
XLogP4.38
TPSA94.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 30028780
5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 97057851
4-nitro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol
CID 135429569
2-(2-chloro-5-nitrophenyl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 70039992
2-(2-chloro-5-nitrophenyl)-5-methylpyridine
CID 66878225
4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503410
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine
CID 118813630
5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 2742641
2-chloro-5-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330382
(Z)-3-(2-chloro-5-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662588
3-chloro-5-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazole
CID 112571859
5-(4-nitrophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole
CID 25254807

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (CID 15957010) is 5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)c1.
What is the InChIKey of 5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is SGTZYYZUCVRPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF3N4O3/c15-10-3-2-8(22(23)24)5-9(10)13-20-12(21-25-13)11-4-1-7(6-19-11)14(16,17)18/h1-6H.
What are the key properties of 5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 370.67 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 15957010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).