6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide

C16H20FN3O4 — CID 67357309

IUPAC6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide
SMILESCNC(=O)c1noc2c(F)c(N3C[C@@H](C)O[C@@H](C)C3)c(CO)cc12
InChIInChI=1S/C16H20FN3O4/c1-8-5-20(6-9(2)23-8)14-10(7-21)4-11-13(16(22)18-3)19-24-15(11)12(14)17/h4,8-9,21H,5-7H2,1-3H3,(H,18,22)/t8-,9+
InChIKeyCHWPEZJOPRWTSY-DTORHVGOSA-N
MW337.35 g/mol
LogP1.43
Rot. Bonds3

About 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide

6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide (PubChem CID 67357309) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide
PubChem CID67357309
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide
SMILESCNC(=O)c1noc2c(F)c(N3C[C@@H](C)O[C@@H](C)C3)c(CO)cc12
InChIInChI=1S/C16H20FN3O4/c1-8-5-20(6-9(2)23-8)14-10(7-21)4-11-13(16(22)18-3)19-24-15(11)12(14)17/h4,8-9,21H,5-7H2,1-3H3,(H,18,22)/t8-,9+
InChIKeyCHWPEZJOPRWTSY-DTORHVGOSA-N
XLogP1.43
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide?
The IUPAC name of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide (CID 67357309) is 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide is CNC(=O)c1noc2c(F)c(N3C[C@@H](C)O[C@@H](C)C3)c(CO)cc12.
What is the InChIKey of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide?
The InChIKey is CHWPEZJOPRWTSY-DTORHVGOSA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-8-5-20(6-9(2)23-8)14-10(7-21)4-11-13(16(22)18-3)19-24-15(11)12(14)17/h4,8-9,21H,5-7H2,1-3H3,(H,18,22)/t8-,9+.
What are the key properties of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide?
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 67357309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).