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

C18H21FN4O3 — CID 77272708

IUPAC[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol
SMILESCC1CN(c2c(CO)cc3c(-c4cn(C)cn4)noc3c2F)CC(C)O1
InChIInChI=1S/C18H21FN4O3/c1-10-5-23(6-11(2)25-10)17-12(8-24)4-13-16(14-7-22(3)9-20-14)21-26-18(13)15(17)19/h4,7,9-11,24H,5-6,8H2,1-3H3
InChIKeyKDEGRJBIJDPPDC-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.47
Rot. Bonds3

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

[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol (PubChem CID 77272708) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol
PubChem CID77272708
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol
SMILESCC1CN(c2c(CO)cc3c(-c4cn(C)cn4)noc3c2F)CC(C)O1
InChIInChI=1S/C18H21FN4O3/c1-10-5-23(6-11(2)25-10)17-12(8-24)4-13-16(14-7-22(3)9-20-14)21-26-18(13)15(17)19/h4,7,9-11,24H,5-6,8H2,1-3H3
InChIKeyKDEGRJBIJDPPDC-UHFFFAOYSA-N
XLogP2.47
TPSA76.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-7-fluoro-5-(hydroxymethyl)-N,N-dimethyl-1,2-benzoxazole-3-carboxamide
CID 67358081
[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]-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
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
[7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol
CID 67377212
(4R,6S,7S)-17-fluoro-4,6-dimethyl-13-(1-methylimidazol-4-yl)spiro[5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene-8,3'-piperidine]-2',4',6'-trione
CID 58457125
[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

Frequently Asked Questions

What is the IUPAC name of [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol (CID 77272708) is [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol is CC1CN(c2c(CO)cc3c(-c4cn(C)cn4)noc3c2F)CC(C)O1.
What is the InChIKey of [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol?
The InChIKey is KDEGRJBIJDPPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-10-5-23(6-11(2)25-10)17-12(8-24)4-13-16(14-7-22(3)9-20-14)21-26-18(13)15(17)19/h4,7,9-11,24H,5-6,8H2,1-3H3.
What are the key properties of [6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol?
[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol has a molecular weight of 360.39 g/mol, XLogP of 2.47, 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-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 77272708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).