N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H23F3N4O4 — CID 112818170

IUPACN-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NCC(O)CN3CCOCC3)c12
InChIInChI=1S/C22H23F3N4O4/c1-13-19-16(20(31)26-11-14(30)12-29-6-8-32-9-7-29)10-18(27-21(19)33-28-13)15-4-2-3-5-17(15)22(23,24)25/h2-5,10,14,30H,6-9,11-12H2,1H3,(H,26,31)
InChIKeyUDUOLMHLUNPPLS-UHFFFAOYSA-N
MW464.44 g/mol
LogP2.64
Rot. Bonds6

About N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 112818170) has the molecular formula C22H23F3N4O4 and a molecular weight of 464.44 g/mol. Its IUPAC name is N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID112818170
Molecular FormulaC22H23F3N4O4
Molecular Weight464.44 g/mol
Exact Mass464.17
IUPAC NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NCC(O)CN3CCOCC3)c12
InChIInChI=1S/C22H23F3N4O4/c1-13-19-16(20(31)26-11-14(30)12-29-6-8-32-9-7-29)10-18(27-21(19)33-28-13)15-4-2-3-5-17(15)22(23,24)25/h2-5,10,14,30H,6-9,11-12H2,1H3,(H,26,31)
InChIKeyUDUOLMHLUNPPLS-UHFFFAOYSA-N
XLogP2.64
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33045364
3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55503404
(4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 112810042
N-cyclopropyl-N-ethyl-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 75402736
3-methyl-N-pyridin-3-yl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 36716366
N-(5-acetamido-2-chlorophenyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55915451
2-(4-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 112799485
6-(furan-2-yl)-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46632647
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51118381
6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78838579
5-[2,5-bis(trifluoromethyl)phenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methyl-1-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
CID 73000370
1-(2-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112818169

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 112818170) is N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NCC(O)CN3CCOCC3)c12.
What is the InChIKey of N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UDUOLMHLUNPPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O4/c1-13-19-16(20(31)26-11-14(30)12-29-6-8-32-9-7-29)10-18(27-21(19)33-28-13)15-4-2-3-5-17(15)22(23,24)25/h2-5,10,14,30H,6-9,11-12H2,1H3,(H,26,31).
What are the key properties of N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 464.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 112818170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).