[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol

C22H26FN5O4 — CID 67356764

IUPAC[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol
SMILESC[C@@H]1CN(c2c(CO)cc3c(-c4cnc(N5CCOCC5)cn4)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C22H26FN5O4/c1-13-10-28(11-14(2)31-13)21-15(12-29)7-16-20(26-32-22(16)19(21)23)17-8-25-18(9-24-17)27-3-5-30-6-4-27/h7-9,13-14,29H,3-6,10-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyPBQQZUGGWRMAHE-ZIAGYGMSSA-N
MW443.48 g/mol
LogP2.37
Rot. Bonds4

About [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol

[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol (PubChem CID 67356764) has the molecular formula C22H26FN5O4 and a molecular weight of 443.48 g/mol. Its IUPAC name is [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol
PubChem CID67356764
Molecular FormulaC22H26FN5O4
Molecular Weight443.48 g/mol
Exact Mass443.20
IUPAC Name[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol
SMILESC[C@@H]1CN(c2c(CO)cc3c(-c4cnc(N5CCOCC5)cn4)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C22H26FN5O4/c1-13-10-28(11-14(2)31-13)21-15(12-29)7-16-20(26-32-22(16)19(21)23)17-8-25-18(9-24-17)27-3-5-30-6-4-27/h7-9,13-14,29H,3-6,10-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyPBQQZUGGWRMAHE-ZIAGYGMSSA-N
XLogP2.37
TPSA96.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol (CID 67356764) is [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol is C[C@@H]1CN(c2c(CO)cc3c(-c4cnc(N5CCOCC5)cn4)noc3c2F)C[C@@H](C)O1.
What is the InChIKey of [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol?
The InChIKey is PBQQZUGGWRMAHE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C22H26FN5O4/c1-13-10-28(11-14(2)31-13)21-15(12-29)7-16-20(26-32-22(16)19(21)23)17-8-25-18(9-24-17)27-3-5-30-6-4-27/h7-9,13-14,29H,3-6,10-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol?
[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol has a molecular weight of 443.48 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 67356764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).