[(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

C14H17N3O3 — CID 95124200

IUPAC[(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1noc2ncc(C(=O)N3C[C@H](C)OC[C@@H]3C)cc12
InChIInChI=1S/C14H17N3O3/c1-8-7-19-9(2)6-17(8)14(18)11-4-12-10(3)16-20-13(12)15-5-11/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyUKIWJPBPOIHHOW-IUCAKERBSA-N
MW275.31 g/mol
LogP1.78
Rot. Bonds1

About [(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

[(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 95124200) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID95124200
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1noc2ncc(C(=O)N3C[C@H](C)OC[C@@H]3C)cc12
InChIInChI=1S/C14H17N3O3/c1-8-7-19-9(2)6-17(8)14(18)11-4-12-10(3)16-20-13(12)15-5-11/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyUKIWJPBPOIHHOW-IUCAKERBSA-N
XLogP1.78
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of [(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (CID 95124200) is [(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for [(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for [(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is Cc1noc2ncc(C(=O)N3C[C@H](C)OC[C@@H]3C)cc12.
What is the InChIKey of [(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is UKIWJPBPOIHHOW-IUCAKERBSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-7-19-9(2)6-17(8)14(18)11-4-12-10(3)16-20-13(12)15-5-11/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of [(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
[(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 275.31 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 95124200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).