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

C18H20FN3O3S — CID 67376176

IUPAC[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(4-methyl-1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol
SMILESCc1ncsc1-c1noc2c(F)c(N3C[C@@H](C)O[C@@H](C)C3)c(CO)cc12
InChIInChI=1S/C18H20FN3O3S/c1-9-5-22(6-10(2)24-9)16-12(7-23)4-13-15(18-11(3)20-8-26-18)21-25-17(13)14(16)19/h4,8-10,23H,5-7H2,1-3H3/t9-,10+
InChIKeyUKNAAIPWMBELPO-AOOOYVTPSA-N
MW377.44 g/mol
LogP3.50
Rot. Bonds3

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

[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(4-methyl-1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol (PubChem CID 67376176) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(4-methyl-1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(4-methyl-1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol
PubChem CID67376176
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(4-methyl-1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol
SMILESCc1ncsc1-c1noc2c(F)c(N3C[C@@H](C)O[C@@H](C)C3)c(CO)cc12
InChIInChI=1S/C18H20FN3O3S/c1-9-5-22(6-10(2)24-9)16-12(7-23)4-13-15(18-11(3)20-8-26-18)21-25-17(13)14(16)19/h4,8-10,23H,5-7H2,1-3H3/t9-,10+
InChIKeyUKNAAIPWMBELPO-AOOOYVTPSA-N
XLogP3.50
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(4-methyl-1,3-thiazol-5-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,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(4-methyl-1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(4-methyl-1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol (CID 67376176) is [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(4-methyl-1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(4-methyl-1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(4-methyl-1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol is Cc1ncsc1-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-3-(4-methyl-1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol?
The InChIKey is UKNAAIPWMBELPO-AOOOYVTPSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-9-5-22(6-10(2)24-9)16-12(7-23)4-13-15(18-11(3)20-8-26-18)21-25-17(13)14(16)19/h4,8-10,23H,5-7H2,1-3H3/t9-,10+.
What are the key properties of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(4-methyl-1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol?
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(4-methyl-1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol has a molecular weight of 377.44 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(4-methyl-1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 67376176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).