[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol

C20H22FN3O3 — CID 67356594

IUPAC[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol
SMILESCc1ccc(-c2noc3c(F)c(N4C[C@@H](C)O[C@@H](C)C4)c(CO)cc23)cn1
InChIInChI=1S/C20H22FN3O3/c1-11-4-5-14(7-22-11)18-16-6-15(10-25)19(17(21)20(16)27-23-18)24-8-12(2)26-13(3)9-24/h4-7,12-13,25H,8-10H2,1-3H3/t12-,13+
InChIKeyOCORDLDFDDJJHH-BETUJISGSA-N
MW371.41 g/mol
LogP3.44
Rot. Bonds3

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

[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol (PubChem CID 67356594) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol
PubChem CID67356594
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol
SMILESCc1ccc(-c2noc3c(F)c(N4C[C@@H](C)O[C@@H](C)C4)c(CO)cc23)cn1
InChIInChI=1S/C20H22FN3O3/c1-11-4-5-14(7-22-11)18-16-6-15(10-25)19(17(21)20(16)27-23-18)24-8-12(2)26-13(3)9-24/h4-7,12-13,25H,8-10H2,1-3H3/t12-,13+
InChIKeyOCORDLDFDDJJHH-BETUJISGSA-N
XLogP3.44
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-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,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol (CID 67356594) is [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol is Cc1ccc(-c2noc3c(F)c(N4C[C@@H](C)O[C@@H](C)C4)c(CO)cc23)cn1.
What is the InChIKey of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol?
The InChIKey is OCORDLDFDDJJHH-BETUJISGSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-11-4-5-14(7-22-11)18-16-6-15(10-25)19(17(21)20(16)27-23-18)24-8-12(2)26-13(3)9-24/h4-7,12-13,25H,8-10H2,1-3H3/t12-,13+.
What are the key properties of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol?
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol has a molecular weight of 371.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 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-3-(6-methyl-3-pyridinyl)-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 67356594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).