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

C18H19FN4O3 — CID 67358403

IUPAC[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol
SMILESC[C@@H]1CN(c2c(CO)cc3c(-c4ncccn4)noc3c2F)C[C@H](C)O1
InChIInChI=1S/C18H19FN4O3/c1-10-7-23(8-11(2)25-10)16-12(9-24)6-13-15(18-20-4-3-5-21-18)22-26-17(13)14(16)19/h3-6,10-11,24H,7-9H2,1-2H3/t10-,11+
InChIKeyJGKKCUDLVISZQG-PHIMTYICSA-N
MW358.37 g/mol
LogP2.53
Rot. Bonds3

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

[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol (PubChem CID 67358403) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol
PubChem CID67358403
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol
SMILESC[C@@H]1CN(c2c(CO)cc3c(-c4ncccn4)noc3c2F)C[C@H](C)O1
InChIInChI=1S/C18H19FN4O3/c1-10-7-23(8-11(2)25-10)16-12(9-24)6-13-15(18-20-4-3-5-21-18)22-26-17(13)14(16)19/h3-6,10-11,24H,7-9H2,1-2H3/t10-,11+
InChIKeyJGKKCUDLVISZQG-PHIMTYICSA-N
XLogP2.53
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol
CID 77272708
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol
CID 67358745
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N,N-dimethyl-1,2-benzoxazole-3-carboxamide
CID 67358081
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide
CID 67359591
[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol
CID 77275764
[7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol
CID 77291552
[7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol
CID 67377212
1-[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carbonyl]azetidine-3-carbonitrile
CID 77272578
(3,3-difluoropyrrolidin-1-yl)-[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazol-3-yl]methanone
CID 77272760
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,4-difluorophenyl]methanol
CID 67376655
3-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluoro-5-(hydroxymethyl)phenyl]propanoic acid
CID 91527245
[2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol
CID 87764020

Frequently Asked Questions

What is the IUPAC name of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol (CID 67358403) is [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol is C[C@@H]1CN(c2c(CO)cc3c(-c4ncccn4)noc3c2F)C[C@H](C)O1.
What is the InChIKey of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol?
The InChIKey is JGKKCUDLVISZQG-PHIMTYICSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-10-7-23(8-11(2)25-10)16-12(9-24)6-13-15(18-20-4-3-5-21-18)22-26-17(13)14(16)19/h3-6,10-11,24H,7-9H2,1-2H3/t10-,11+.
What are the key properties of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol?
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol has a molecular weight of 358.37 g/mol, XLogP of 2.53, 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-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 67358403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).