N-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide

C15H16F3N3O4 — CID 89298642

IUPACN-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide
SMILESO=C(N[C@@H]1C(N2CCOCC2)=NO[C@]1(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H16F3N3O4/c16-15(17,18)14(23)11(19-13(22)10-4-2-1-3-5-10)12(20-25-14)21-6-8-24-9-7-21/h1-5,11,23H,6-9H2,(H,19,22)/t11-,14+/m1/s1
InChIKeyPFAWPZFGXCHBGN-RISCZKNCSA-N
MW359.30 g/mol
LogP0.71
Rot. Bonds2

About N-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide

N-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide (PubChem CID 89298642) has the molecular formula C15H16F3N3O4 and a molecular weight of 359.30 g/mol. Its IUPAC name is N-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide
PubChem CID89298642
Molecular FormulaC15H16F3N3O4
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC NameN-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide
SMILESO=C(N[C@@H]1C(N2CCOCC2)=NO[C@]1(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H16F3N3O4/c16-15(17,18)14(23)11(19-13(22)10-4-2-1-3-5-10)12(20-25-14)21-6-8-24-9-7-21/h1-5,11,23H,6-9H2,(H,19,22)/t11-,14+/m1/s1
InChIKeyPFAWPZFGXCHBGN-RISCZKNCSA-N
XLogP0.71
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide?
The IUPAC name of N-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide (CID 89298642) is N-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide.
What is the SMILES notation for N-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide?
The canonical SMILES for N-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide is O=C(N[C@@H]1C(N2CCOCC2)=NO[C@]1(O)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide?
The InChIKey is PFAWPZFGXCHBGN-RISCZKNCSA-N. The full InChI is InChI=1S/C15H16F3N3O4/c16-15(17,18)14(23)11(19-13(22)10-4-2-1-3-5-10)12(20-25-14)21-6-8-24-9-7-21/h1-5,11,23H,6-9H2,(H,19,22)/t11-,14+/m1/s1.
What are the key properties of N-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide?
N-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide has a molecular weight of 359.30 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide is sourced from PubChem (CID 89298642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).