2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol

C19H18F3N3O4 — CID 175894294

IUPAC2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc2oc(N3CCO[C@@H](CO)C3)nc2n1
InChIInChI=1S/C19H18F3N3O4/c1-10-6-11(19(20,21)22)7-14(27)16(10)13-2-3-15-17(23-13)24-18(29-15)25-4-5-28-12(8-25)9-26/h2-3,6-7,12,26-27H,4-5,8-9H2,1H3/t12-/m1/s1
InChIKeyALKLDVITMXYKDC-GFCCVEGCSA-N
MW409.36 g/mol
LogP3.12
Rot. Bonds3

About 2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol

2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol (PubChem CID 175894294) has the molecular formula C19H18F3N3O4 and a molecular weight of 409.36 g/mol. Its IUPAC name is 2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol
PubChem CID175894294
Molecular FormulaC19H18F3N3O4
Molecular Weight409.36 g/mol
Exact Mass409.12
IUPAC Name2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc2oc(N3CCO[C@@H](CO)C3)nc2n1
InChIInChI=1S/C19H18F3N3O4/c1-10-6-11(19(20,21)22)7-14(27)16(10)13-2-3-15-17(23-13)24-18(29-15)25-4-5-28-12(8-25)9-26/h2-3,6-7,12,26-27H,4-5,8-9H2,1H3/t12-/m1/s1
InChIKeyALKLDVITMXYKDC-GFCCVEGCSA-N
XLogP3.12
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol
CID 170157269
ethane;3-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-6-yl)-5-(trifluoromethyl)phenol
CID 177136418
[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
CID 81205635
[(2S)-4-(6-fluoro-2,3-dimethylquinolin-4-yl)morpholin-2-yl]methanol
CID 97309123
[4-(6-fluoro-2,3-dimethylquinolin-4-yl)morpholin-2-yl]methanol
CID 75485085
1-[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-2-(oxolan-3-yl)pyrazolo[3,4-b]pyridin-3-yl]ethanone
CID 177136260
[4-[2-(1-aminoethyl)phenyl]morpholin-2-yl]methanol
CID 81204899
2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol
CID 170157555
[4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol
CID 81206370
3-methyl-2-[2-(5-oxaspiro[3.5]nonan-8-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol
CID 177223166
[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol
CID 81194556
3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol
CID 178171635

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol (CID 175894294) is 2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol is Cc1cc(C(F)(F)F)cc(O)c1-c1ccc2oc(N3CCO[C@@H](CO)C3)nc2n1.
What is the InChIKey of 2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol?
The InChIKey is ALKLDVITMXYKDC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18F3N3O4/c1-10-6-11(19(20,21)22)7-14(27)16(10)13-2-3-15-17(23-13)24-18(29-15)25-4-5-28-12(8-25)9-26/h2-3,6-7,12,26-27H,4-5,8-9H2,1H3/t12-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol?
2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol has a molecular weight of 409.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 175894294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).