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

C20H23FN4O3 — CID 77275764

IUPAC[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol
SMILESCC1CN(c2c(CO)cc3c(NCc4ccncc4)noc3c2F)CC(C)O1
InChIInChI=1S/C20H23FN4O3/c1-12-9-25(10-13(2)27-12)18-15(11-26)7-16-19(17(18)21)28-24-20(16)23-8-14-3-5-22-6-4-14/h3-7,12-13,26H,8-11H2,1-2H3,(H,23,24)
InChIKeyJIHJORCOXVEYSR-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.08
Rot. Bonds5

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

[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol (PubChem CID 77275764) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol
PubChem CID77275764
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol
SMILESCC1CN(c2c(CO)cc3c(NCc4ccncc4)noc3c2F)CC(C)O1
InChIInChI=1S/C20H23FN4O3/c1-12-9-25(10-13(2)27-12)18-15(11-26)7-16-19(17(18)21)28-24-20(16)23-8-14-3-5-22-6-4-14/h3-7,12-13,26H,8-11H2,1-2H3,(H,23,24)
InChIKeyJIHJORCOXVEYSR-UHFFFAOYSA-N
XLogP3.08
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol with MolForge

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Related Compounds

[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol
CID 67358403
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide
CID 67359591
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N,N-dimethyl-1,2-benzoxazole-3-carboxamide
CID 67358081
[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
17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
CID 77291222
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(1-methylpyrazol-4-yl)methylamino]-1,2-benzoxazole-5-carbaldehyde
CID 87369427
[7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol
CID 77291552
1-[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carbonyl]azetidine-3-carbonitrile
CID 77272578
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1H-imidazol-5-ylmethylamino)-1,2-benzoxazole-5-carbaldehyde
CID 87368695
(3,3-difluoropyrrolidin-1-yl)-[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazol-3-yl]methanone
CID 77272760
(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(pyridin-3-ylmethyl)spiro[2H-pyrimidine-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-amine
CID 150998647

Frequently Asked Questions

What is the IUPAC name of [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol (CID 77275764) is [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol is CC1CN(c2c(CO)cc3c(NCc4ccncc4)noc3c2F)CC(C)O1.
What is the InChIKey of [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol?
The InChIKey is JIHJORCOXVEYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-12-9-25(10-13(2)27-12)18-15(11-26)7-16-19(17(18)21)28-24-20(16)23-8-14-3-5-22-6-4-14/h3-7,12-13,26H,8-11H2,1-2H3,(H,23,24).
What are the key properties of [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol?
[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol has a molecular weight of 386.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 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-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 77275764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).