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

C57H47F9N14O8 — CID 167604432

IUPAC1-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
SMILESCN(O)C(=O)Nc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.COc1ccc(CON(C)C(=O)Nc2ccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cn2)cc1.Nc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1
InChIInChI=1S/C25H22F3N5O4.C17H14F3N5O3.C15H11F3N4O/c1-33(36-15-16-3-10-20(35-2)11-4-16)24(34)32-22-12-9-19(13-29-22)31-23-30-14-21(37-23)17-5-7-18(8-6-17)25(26,27)28;1-25(27)16(26)24-14-7-6-12(8-21-14)23-15-22-9-13(28-15)10-2-4-11(5-3-10)17(18,19)20;16-15(17,18)10-3-1-9(2-4-10)12-8-21-14(23-12)22-11-5-6-13(19)20-7-11/h3-14H,15H2,1-2H3,(H,30,31)(H,29,32,34);2-9,27H,1H3,(H,22,23)(H,21,24,26);1-8H,(H2,19,20)(H,21,22)
InChIKeyKELUJQLKDBIJQW-UHFFFAOYSA-N
MW1227.07 g/mol
LogP14.54
Rot. Bonds15

About 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

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 (PubChem CID 167604432) has the molecular formula C57H47F9N14O8 and a molecular weight of 1227.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID167604432
Molecular FormulaC57H47F9N14O8
Molecular Weight1227.07 g/mol
Exact Mass1226.36
IUPAC Name1-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
SMILESCN(O)C(=O)Nc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.COc1ccc(CON(C)C(=O)Nc2ccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cn2)cc1.Nc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1
InChIInChI=1S/C25H22F3N5O4.C17H14F3N5O3.C15H11F3N4O/c1-33(36-15-16-3-10-20(35-2)11-4-16)24(34)32-22-12-9-19(13-29-22)31-23-30-14-21(37-23)17-5-7-18(8-6-17)25(26,27)28;1-25(27)16(26)24-14-7-6-12(8-21-14)23-15-22-9-13(28-15)10-2-4-11(5-3-10)17(18,19)20;16-15(17,18)10-3-1-9(2-4-10)12-8-21-14(23-12)22-11-5-6-13(19)20-7-11/h3-14H,15H2,1-2H3,(H,30,31)(H,29,32,34);2-9,27H,1H3,(H,22,23)(H,21,24,26);1-8H,(H2,19,20)(H,21,22)
InChIKeyKELUJQLKDBIJQW-UHFFFAOYSA-N
XLogP14.54
TPSA282.24 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001227.07
LogP ≤ 514.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(O)C(=O)Nc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.COc1ccc(CON(C)C(=O)Nc2ccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cn2)cc1.Nc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.
What is the InChIKey of 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?
The InChIKey is KELUJQLKDBIJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O4.C17H14F3N5O3.C15H11F3N4O/c1-33(36-15-16-3-10-20(35-2)11-4-16)24(34)32-22-12-9-19(13-29-22)31-23-30-14-21(37-23)17-5-7-18(8-6-17)25(26,27)28;1-25(27)16(26)24-14-7-6-12(8-21-14)23-15-22-9-13(28-15)10-2-4-11(5-3-10)17(18,19)20;16-15(17,18)10-3-1-9(2-4-10)12-8-21-14(23-12)22-11-5-6-13(19)20-7-11/h3-14H,15H2,1-2H3,(H,30,31)(H,29,32,34);2-9,27H,1H3,(H,22,23)(H,21,24,26);1-8H,(H2,19,20)(H,21,22).
What are the key properties of 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?
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 has a molecular weight of 1227.07 g/mol, XLogP of 14.54, 15 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167604432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).