4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one

C56H40ClF9N12O9 — CID 167568926

IUPAC4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
SMILESFC(F)(F)c1ccc(-c2cnc(Cl)o2)nc1.Nc1ccn(OCc2ccccc2)c(=O)c1.O=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)ccn1O.O=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)ccn1OCc1ccccc1
InChIInChI=1S/C21H15F3N4O3.C14H9F3N4O3.C12H12N2O2.C9H4ClF3N2O/c22-21(23,24)15-6-7-17(25-11-15)18-12-26-20(31-18)27-16-8-9-28(19(29)10-16)30-13-14-4-2-1-3-5-14;15-14(16,17)8-1-2-10(18-6-8)11-7-19-13(24-11)20-9-3-4-21(23)12(22)5-9;13-11-6-7-14(12(15)8-11)16-9-10-4-2-1-3-5-10;10-8-15-4-7(16-8)6-2-1-5(3-14-6)9(11,12)13/h1-12H,13H2,(H,26,27);1-7,23H,(H,19,20);1-8H,9,13H2;1-4H
InChIKeyFQHRZDHCSNIAAZ-UHFFFAOYSA-N
MW1231.45 g/mol
LogP11.66
Rot. Bonds13

About 4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one

4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one (PubChem CID 167568926) has the molecular formula C56H40ClF9N12O9 and a molecular weight of 1231.45 g/mol. Its IUPAC name is 4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
PubChem CID167568926
Molecular FormulaC56H40ClF9N12O9
Molecular Weight1231.45 g/mol
Exact Mass1230.26
IUPAC Name4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
SMILESFC(F)(F)c1ccc(-c2cnc(Cl)o2)nc1.Nc1ccn(OCc2ccccc2)c(=O)c1.O=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)ccn1O.O=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)ccn1OCc1ccccc1
InChIInChI=1S/C21H15F3N4O3.C14H9F3N4O3.C12H12N2O2.C9H4ClF3N2O/c22-21(23,24)15-6-7-17(25-11-15)18-12-26-20(31-18)27-16-8-9-28(19(29)10-16)30-13-14-4-2-1-3-5-14;15-14(16,17)8-1-2-10(18-6-8)11-7-19-13(24-11)20-9-3-4-21(23)12(22)5-9;13-11-6-7-14(12(15)8-11)16-9-10-4-2-1-3-5-10;10-8-15-4-7(16-8)6-2-1-5(3-14-6)9(11,12)13/h1-12H,13H2,(H,26,27);1-7,23H,(H,19,20);1-8H,9,13H2;1-4H
InChIKeyFQHRZDHCSNIAAZ-UHFFFAOYSA-N
XLogP11.66
TPSA271.53 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001231.45
LogP ≤ 511.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
CID 155585183
1-Phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
CID 155585320
(3S)-3-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;(3R)-3-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 164971019
1-hydroxy-1-methyl-3-[5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-2-pyridinyl]urea;1-[(4-methoxyphenyl)methoxy]-1-methyl-3-[5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-2-pyridinyl]urea;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine
CID 167604432
N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid
CID 167617776
2-azido-1-[4-(trifluoromethyl)phenyl]ethanone;N'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
CID 167631503
5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile
CID 172941824
5-bromopyrazine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
CID 172958522
2-chloropyrimidine-5-carbonitrile;N'-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrimidine-5-carboximidamide;5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrimidine-5-carbonitrile
CID 172964860
7-[2-Chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
CID 174241515
4-[[5-(5-Methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]-1-phenylmethoxypyridin-2-one
CID 156043883
6-(2-chloro-1,3-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine;N-(4-methyl-2-pyridinyl)-6-(1,3-oxazol-5-yl)pyridin-2-amine
CID 157688101

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
The IUPAC name of 4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one (CID 167568926) is 4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one.
What is the SMILES notation for 4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
The canonical SMILES for 4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one is FC(F)(F)c1ccc(-c2cnc(Cl)o2)nc1.Nc1ccn(OCc2ccccc2)c(=O)c1.O=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)ccn1O.O=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)ccn1OCc1ccccc1.
What is the InChIKey of 4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
The InChIKey is FQHRZDHCSNIAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3.C14H9F3N4O3.C12H12N2O2.C9H4ClF3N2O/c22-21(23,24)15-6-7-17(25-11-15)18-12-26-20(31-18)27-16-8-9-28(19(29)10-16)30-13-14-4-2-1-3-5-14;15-14(16,17)8-1-2-10(18-6-8)11-7-19-13(24-11)20-9-3-4-21(23)12(22)5-9;13-11-6-7-14(12(15)8-11)16-9-10-4-2-1-3-5-10;10-8-15-4-7(16-8)6-2-1-5(3-14-6)9(11,12)13/h1-12H,13H2,(H,26,27);1-7,23H,(H,19,20);1-8H,9,13H2;1-4H.
What are the key properties of 4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one has a molecular weight of 1231.45 g/mol, XLogP of 11.66, 13 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-phenylmethoxypyridin-2-one;2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole;1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one;1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one is sourced from PubChem (CID 167568926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).