(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone

C13H13N3O2S — CID 87019769

IUPAC(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccnc2)on1)N1CCSCC1
InChIInChI=1S/C13H13N3O2S/c17-13(16-4-6-19-7-5-16)11-8-12(18-15-11)10-2-1-3-14-9-10/h1-3,8-9H,4-7H2
InChIKeyJKHSNSYCHUUVOL-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.93
Rot. Bonds2

About (5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone

(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone (PubChem CID 87019769) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is (5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone
PubChem CID87019769
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccnc2)on1)N1CCSCC1
InChIInChI=1S/C13H13N3O2S/c17-13(16-4-6-19-7-5-16)11-8-12(18-15-11)10-2-1-3-14-9-10/h1-3,8-9H,4-7H2
InChIKeyJKHSNSYCHUUVOL-UHFFFAOYSA-N
XLogP1.93
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone (CID 87019769) is (5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone is O=C(c1cc(-c2cccnc2)on1)N1CCSCC1.
What is the InChIKey of (5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is JKHSNSYCHUUVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-13(16-4-6-19-7-5-16)11-8-12(18-15-11)10-2-1-3-14-9-10/h1-3,8-9H,4-7H2.
What are the key properties of (5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone?
(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 275.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 87019769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).