7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide

C15H17ClN4O4 — CID 86658117

IUPAC7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide
SMILESCNC(=O)c1noc2c(Cl)c(N3C[C@@H](C)O[C@@H](C)C3)c(C=O)nc12
InChIInChI=1S/C15H17ClN4O4/c1-7-4-20(5-8(2)23-7)13-9(6-21)18-11-12(15(22)17-3)19-24-14(11)10(13)16/h6-8H,4-5H2,1-3H3,(H,17,22)/t7-,8+
InChIKeyXIWIBNIRFWSBIG-OCAPTIKFSA-N
MW352.78 g/mol
LogP1.66
Rot. Bonds3

About 7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide

7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide (PubChem CID 86658117) has the molecular formula C15H17ClN4O4 and a molecular weight of 352.78 g/mol. Its IUPAC name is 7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide
PubChem CID86658117
Molecular FormulaC15H17ClN4O4
Molecular Weight352.78 g/mol
Exact Mass352.09
IUPAC Name7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide
SMILESCNC(=O)c1noc2c(Cl)c(N3C[C@@H](C)O[C@@H](C)C3)c(C=O)nc12
InChIInChI=1S/C15H17ClN4O4/c1-7-4-20(5-8(2)23-7)13-9(6-21)18-11-12(15(22)17-3)19-24-14(11)10(13)16/h6-8H,4-5H2,1-3H3,(H,17,22)/t7-,8+
InChIKeyXIWIBNIRFWSBIG-OCAPTIKFSA-N
XLogP1.66
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-chloro-6-(2,6-dimethylmorpholin-4-yl)-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide
CID 87369062
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-[(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
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
N-[(4-cyanophenyl)methyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide
CID 87369017
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-(2,6-dimethylmorpholin-4-yl)-3-(methoxymethyl)-1,2-benzoxazole-5-carbaldehyde
CID 123323162
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide
CID 67359591
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
3-(4,4-difluoropiperidine-1-carbonyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-5-carbaldehyde
CID 87368803

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide?
The IUPAC name of 7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide (CID 86658117) is 7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide.
What is the SMILES notation for 7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide?
The canonical SMILES for 7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide is CNC(=O)c1noc2c(Cl)c(N3C[C@@H](C)O[C@@H](C)C3)c(C=O)nc12.
What is the InChIKey of 7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide?
The InChIKey is XIWIBNIRFWSBIG-OCAPTIKFSA-N. The full InChI is InChI=1S/C15H17ClN4O4/c1-7-4-20(5-8(2)23-7)13-9(6-21)18-11-12(15(22)17-3)19-24-14(11)10(13)16/h6-8H,4-5H2,1-3H3,(H,17,22)/t7-,8+.
What are the key properties of 7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide?
7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide has a molecular weight of 352.78 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-N-methyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide is sourced from PubChem (CID 86658117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).