1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one

C16H12F3N3O3 — CID 155585257

IUPAC1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
SMILESCc1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cc(=O)n1O
InChIInChI=1S/C16H12F3N3O3/c1-9-6-12(7-14(23)22(9)24)21-15-20-8-13(25-15)10-2-4-11(5-3-10)16(17,18)19/h2-8,24H,1H3,(H,20,21)
InChIKeyWBNKXIIWOISLHZ-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.81
Rot. Bonds3

About 1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one

1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one (PubChem CID 155585257) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
PubChem CID155585257
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC Name1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
SMILESCc1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cc(=O)n1O
InChIInChI=1S/C16H12F3N3O3/c1-9-6-12(7-14(23)22(9)24)21-15-20-8-13(25-15)10-2-4-11(5-3-10)16(17,18)19/h2-8,24H,1H3,(H,20,21)
InChIKeyWBNKXIIWOISLHZ-UHFFFAOYSA-N
XLogP3.81
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,5-Diphenyl-2-oxazolamine
CID 5329404
N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329849
8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-3,4-dihydronaphthalen-2(1H)-one
CID 11955840
Methyl 4-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]benzoate
CID 139434474
Methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate
CID 139434477
Methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate
CID 139434494
5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine
CID 139441286
5-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-1,2,3,4-tetrahydronaphthalen-2-ol
CID 49799164
4-[2-(2,5-Difluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139441235
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide
CID 139441276
5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine
CID 139441285
N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide
CID 139441299

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
The IUPAC name of 1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one (CID 155585257) is 1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one.
What is the SMILES notation for 1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
The canonical SMILES for 1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one is Cc1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cc(=O)n1O.
What is the InChIKey of 1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
The InChIKey is WBNKXIIWOISLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c1-9-6-12(7-14(23)22(9)24)21-15-20-8-13(25-15)10-2-4-11(5-3-10)16(17,18)19/h2-8,24H,1H3,(H,20,21).
What are the key properties of 1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one has a molecular weight of 351.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one is sourced from PubChem (CID 155585257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).