[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone

C16H8ClF3N2O2 — CID 1473734

IUPAC[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1
InChIInChI=1S/C16H8ClF3N2O2/c17-11-6-10(16(18,19)20)8-21-14(11)12-7-13(24-22-12)15(23)9-4-2-1-3-5-9/h1-8H
InChIKeySRXPOCXFPQYJEV-UHFFFAOYSA-N
MW352.70 g/mol
LogP4.64
Rot. Bonds3

About [3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone

[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone (PubChem CID 1473734) has the molecular formula C16H8ClF3N2O2 and a molecular weight of 352.70 g/mol. Its IUPAC name is [3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone
PubChem CID1473734
Molecular FormulaC16H8ClF3N2O2
Molecular Weight352.70 g/mol
Exact Mass352.02
IUPAC Name[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1
InChIInChI=1S/C16H8ClF3N2O2/c17-11-6-10(16(18,19)20)8-21-14(11)12-7-13(24-22-12)15(23)9-4-2-1-3-5-9/h1-8H
InChIKeySRXPOCXFPQYJEV-UHFFFAOYSA-N
XLogP4.64
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.70
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,4-Dichlorophenyl)-5-isoxazolyl]pyridine
CID 2726998
N-(2-chloropyridin-3-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3586460
5-(4-chlorophenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 15988868
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
6-[1-[[3-(5-Chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide
CID 90657042
5-(4-chlorophenyl)-N-(2-chloropyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 5003875
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]({[(1E)-1-(pyridin-4-yl)ethylidene]amino}oxy)methanone
CID 5446268
5-(3-chlorophenyl)-N-3-pyridinyl-3-isoxazolecarboxamide
CID 15988901
2-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide;hydrochloride
CID 76335590
2-[5-(4-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide;dihydrochloride
CID 90664517
6-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90665130
5-[(5-Methyl-3-pyridinyl)methyl]-3-phenyl-1,2-oxazole
CID 137651298

Frequently Asked Questions

What is the IUPAC name of [3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone?
The IUPAC name of [3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone (CID 1473734) is [3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone.
What is the SMILES notation for [3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone?
The canonical SMILES for [3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1.
What is the InChIKey of [3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone?
The InChIKey is SRXPOCXFPQYJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF3N2O2/c17-11-6-10(16(18,19)20)8-21-14(11)12-7-13(24-22-12)15(23)9-4-2-1-3-5-9/h1-8H.
What are the key properties of [3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone?
[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone has a molecular weight of 352.70 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone is sourced from PubChem (CID 1473734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).