3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole

C14H6ClF3N2O — CID 44545542

IUPAC3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole
SMILESFc1cc(-c2cc(-c3cncc(Cl)c3)no2)cc(F)c1F
InChIInChI=1S/C14H6ClF3N2O/c15-9-1-8(5-19-6-9)12-4-13(21-20-12)7-2-10(16)14(18)11(17)3-7/h1-6H
InChIKeyBXBFEUNNDKUUCG-UHFFFAOYSA-N
MW310.66 g/mol
LogP4.47
Rot. Bonds2

About 3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole

3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole (PubChem CID 44545542) has the molecular formula C14H6ClF3N2O and a molecular weight of 310.66 g/mol. Its IUPAC name is 3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole
PubChem CID44545542
Molecular FormulaC14H6ClF3N2O
Molecular Weight310.66 g/mol
Exact Mass310.01
IUPAC Name3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole
SMILESFc1cc(-c2cc(-c3cncc(Cl)c3)no2)cc(F)c1F
InChIInChI=1S/C14H6ClF3N2O/c15-9-1-8(5-19-6-9)12-4-13(21-20-12)7-2-10(16)14(18)11(17)3-7/h1-6H
InChIKeyBXBFEUNNDKUUCG-UHFFFAOYSA-N
XLogP4.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.66
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,4-Dichlorophenyl)-5-isoxazolyl]pyridine
CID 2726998
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazole
CID 9816180
5-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-2-carboximidamide;dihydrochloride
CID 90665126
N-(2-chloropyridin-3-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3586460
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 58659496
5-[5-(5-Carbamimidoyl-3-pyridinyl)-1,2-oxazol-3-yl]pyridine-2-carboximidamide;hydrochloride
CID 76317404
5-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90664513
5-[3-(5-Carbamimidoyl-3-pyridinyl)-1,2-oxazol-5-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90664514
5-[3-(4-Carbamimidoylphenyl)-1,2-oxazol-5-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90665013
5-[5-(4-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90665124
5-[3-(3-Carbamimidoylphenyl)-1,2-oxazol-5-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90665245

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole?
The IUPAC name of 3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole (CID 44545542) is 3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole.
What is the SMILES notation for 3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole?
The canonical SMILES for 3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole is Fc1cc(-c2cc(-c3cncc(Cl)c3)no2)cc(F)c1F.
What is the InChIKey of 3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole?
The InChIKey is BXBFEUNNDKUUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF3N2O/c15-9-1-8(5-19-6-9)12-4-13(21-20-12)7-2-10(16)14(18)11(17)3-7/h1-6H.
What are the key properties of 3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole?
3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole has a molecular weight of 310.66 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-pyridinyl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole is sourced from PubChem (CID 44545542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).