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

C18H24FN3O5 — CID 67357251

IUPAC6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide
SMILESCOCCNC(=O)c1noc2c(F)c(N3C[C@@H](C)O[C@@H](C)C3)c(CO)cc12
InChIInChI=1S/C18H24FN3O5/c1-10-7-22(8-11(2)26-10)16-12(9-23)6-13-15(18(24)20-4-5-25-3)21-27-17(13)14(16)19/h6,10-11,23H,4-5,7-9H2,1-3H3,(H,20,24)/t10-,11+
InChIKeyVPLMIEAJYRZGDJ-PHIMTYICSA-N
MW381.40 g/mol
LogP1.45
Rot. Bonds6

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

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide (PubChem CID 67357251) has the molecular formula C18H24FN3O5 and a molecular weight of 381.40 g/mol. Its IUPAC name is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide
PubChem CID67357251
Molecular FormulaC18H24FN3O5
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide
SMILESCOCCNC(=O)c1noc2c(F)c(N3C[C@@H](C)O[C@@H](C)C3)c(CO)cc12
InChIInChI=1S/C18H24FN3O5/c1-10-7-22(8-11(2)26-10)16-12(9-23)6-13-15(18(24)20-4-5-25-3)21-27-17(13)14(16)19/h6,10-11,23H,4-5,7-9H2,1-3H3,(H,20,24)/t10-,11+
InChIKeyVPLMIEAJYRZGDJ-PHIMTYICSA-N
XLogP1.45
TPSA97.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide?
The IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide (CID 67357251) is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide is COCCNC(=O)c1noc2c(F)c(N3C[C@@H](C)O[C@@H](C)C3)c(CO)cc12.
What is the InChIKey of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide?
The InChIKey is VPLMIEAJYRZGDJ-PHIMTYICSA-N. The full InChI is InChI=1S/C18H24FN3O5/c1-10-7-22(8-11(2)26-10)16-12(9-23)6-13-15(18(24)20-4-5-25-3)21-27-17(13)14(16)19/h6,10-11,23H,4-5,7-9H2,1-3H3,(H,20,24)/t10-,11+.
What are the key properties of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide?
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 67357251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).