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

C17H18FN3O3S — CID 77272661

IUPAC[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol
SMILESCC1CN(c2c(CO)cc3c(-c4nccs4)noc3c2F)CC(C)O1
InChIInChI=1S/C17H18FN3O3S/c1-9-6-21(7-10(2)23-9)15-11(8-22)5-12-14(17-19-3-4-25-17)20-24-16(12)13(15)18/h3-5,9-10,22H,6-8H2,1-2H3
InChIKeyUCAFPCXYGUQNBS-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.20
Rot. Bonds3

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

[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol (PubChem CID 77272661) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol
PubChem CID77272661
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol
SMILESCC1CN(c2c(CO)cc3c(-c4nccs4)noc3c2F)CC(C)O1
InChIInChI=1S/C17H18FN3O3S/c1-9-6-21(7-10(2)23-9)15-11(8-22)5-12-14(17-19-3-4-25-17)20-24-16(12)13(15)18/h3-5,9-10,22H,6-8H2,1-2H3
InChIKeyUCAFPCXYGUQNBS-UHFFFAOYSA-N
XLogP3.20
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol (CID 77272661) is [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol is CC1CN(c2c(CO)cc3c(-c4nccs4)noc3c2F)CC(C)O1.
What is the InChIKey of [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol?
The InChIKey is UCAFPCXYGUQNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-9-6-21(7-10(2)23-9)15-11(8-22)5-12-14(17-19-3-4-25-17)20-24-16(12)13(15)18/h3-5,9-10,22H,6-8H2,1-2H3.
What are the key properties of [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol?
[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol has a molecular weight of 363.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 77272661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).