[3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol

C16H16BrClN4O3S — CID 67358200

IUPAC[3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol
SMILESC[C@@H]1CN(c2c(CO)nc3c(-c4cnc(Br)s4)noc3c2Cl)C[C@H](C)O1
InChIInChI=1S/C16H16BrClN4O3S/c1-7-4-22(5-8(2)24-7)14-9(6-23)20-13-12(10-3-19-16(17)26-10)21-25-15(13)11(14)18/h3,7-8,23H,4-6H2,1-2H3/t7-,8+
InChIKeyWCDFRELMWHUGCU-OCAPTIKFSA-N
MW459.75 g/mol
LogP3.87
Rot. Bonds3

About [3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol

[3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol (PubChem CID 67358200) has the molecular formula C16H16BrClN4O3S and a molecular weight of 459.75 g/mol. Its IUPAC name is [3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol
PubChem CID67358200
Molecular FormulaC16H16BrClN4O3S
Molecular Weight459.75 g/mol
Exact Mass457.98
IUPAC Name[3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol
SMILESC[C@@H]1CN(c2c(CO)nc3c(-c4cnc(Br)s4)noc3c2Cl)C[C@H](C)O1
InChIInChI=1S/C16H16BrClN4O3S/c1-7-4-22(5-8(2)24-7)14-9(6-23)20-13-12(10-3-19-16(17)26-10)21-25-15(13)11(14)18/h3,7-8,23H,4-6H2,1-2H3/t7-,8+
InChIKeyWCDFRELMWHUGCU-OCAPTIKFSA-N
XLogP3.87
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.75
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol
CID 67377212
7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde
CID 86658114
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde
CID 91133483
[7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol
CID 77291552
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol
CID 67358403
[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol
CID 77272708
N-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide
CID 77272385
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol
CID 67358745
ethyl 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate
CID 67356857
7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde
CID 86658116
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-5-carbaldehyde
CID 91443590
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde
CID 91052837

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol?
The IUPAC name of [3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol (CID 67358200) is [3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol.
What is the SMILES notation for [3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol?
The canonical SMILES for [3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol is C[C@@H]1CN(c2c(CO)nc3c(-c4cnc(Br)s4)noc3c2Cl)C[C@H](C)O1.
What is the InChIKey of [3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol?
The InChIKey is WCDFRELMWHUGCU-OCAPTIKFSA-N. The full InChI is InChI=1S/C16H16BrClN4O3S/c1-7-4-22(5-8(2)24-7)14-9(6-23)20-13-12(10-3-19-16(17)26-10)21-25-15(13)11(14)18/h3,7-8,23H,4-6H2,1-2H3/t7-,8+.
What are the key properties of [3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol?
[3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol has a molecular weight of 459.75 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol is sourced from PubChem (CID 67358200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).