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

C15H18FN3O4 — CID 67357602

IUPAC6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide
SMILESC[C@@H]1CN(c2c(CO)cc3c(C(N)=O)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C15H18FN3O4/c1-7-4-19(5-8(2)22-7)13-9(6-20)3-10-12(15(17)21)18-23-14(10)11(13)16/h3,7-8,20H,4-6H2,1-2H3,(H2,17,21)/t7-,8-/m1/s1
InChIKeyAZKKVQNRZKGSCT-HTQZYQBOSA-N
MW323.32 g/mol
LogP1.17
Rot. Bonds3

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

6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide (PubChem CID 67357602) has the molecular formula C15H18FN3O4 and a molecular weight of 323.32 g/mol. Its IUPAC name is 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide
PubChem CID67357602
Molecular FormulaC15H18FN3O4
Molecular Weight323.32 g/mol
Exact Mass323.13
IUPAC Name6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide
SMILESC[C@@H]1CN(c2c(CO)cc3c(C(N)=O)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C15H18FN3O4/c1-7-4-19(5-8(2)22-7)13-9(6-20)3-10-12(15(17)21)18-23-14(10)11(13)16/h3,7-8,20H,4-6H2,1-2H3,(H2,17,21)/t7-,8-/m1/s1
InChIKeyAZKKVQNRZKGSCT-HTQZYQBOSA-N
XLogP1.17
TPSA101.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide?
The IUPAC name of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide (CID 67357602) is 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide is C[C@@H]1CN(c2c(CO)cc3c(C(N)=O)noc3c2F)C[C@@H](C)O1.
What is the InChIKey of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide?
The InChIKey is AZKKVQNRZKGSCT-HTQZYQBOSA-N. The full InChI is InChI=1S/C15H18FN3O4/c1-7-4-19(5-8(2)22-7)13-9(6-20)3-10-12(15(17)21)18-23-14(10)11(13)16/h3,7-8,20H,4-6H2,1-2H3,(H2,17,21)/t7-,8-/m1/s1.
What are the key properties of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide?
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 67357602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).