[4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol

C13H15FN2O3 — CID 136537402

IUPAC[4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2nc3c(F)cccc3o2)CC(CO)O1
InChIInChI=1S/C13H15FN2O3/c1-8-5-16(6-9(7-17)18-8)13-15-12-10(14)3-2-4-11(12)19-13/h2-4,8-9,17H,5-7H2,1H3
InChIKeyRONROFPWEBPNTE-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.55
Rot. Bonds2

About [4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol

[4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol (PubChem CID 136537402) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is [4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol
PubChem CID136537402
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name[4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2nc3c(F)cccc3o2)CC(CO)O1
InChIInChI=1S/C13H15FN2O3/c1-8-5-16(6-9(7-17)18-8)13-15-12-10(14)3-2-4-11(12)19-13/h2-4,8-9,17H,5-7H2,1H3
InChIKeyRONROFPWEBPNTE-UHFFFAOYSA-N
XLogP1.55
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-fluoro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102933936
1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid
CID 122047375
[4-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 114073629
(6-methyl-4-quinolin-2-ylmorpholin-2-yl)methanol
CID 102935336
[4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934845
4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole
CID 138019173
[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol
CID 102932075
N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935980
[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932040
[4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102935152
(2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 122051706
1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one
CID 102933552

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol (CID 136537402) is [4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol is CC1CN(c2nc3c(F)cccc3o2)CC(CO)O1.
What is the InChIKey of [4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol?
The InChIKey is RONROFPWEBPNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8-5-16(6-9(7-17)18-8)13-15-12-10(14)3-2-4-11(12)19-13/h2-4,8-9,17H,5-7H2,1H3.
What are the key properties of [4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol?
[4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol has a molecular weight of 266.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 136537402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).