(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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Related Compounds

(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 166181719
(7-phenyl-1,4-thiazepan-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 90629503
(5-pyridin-3-yl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334447
(4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 50760121
N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide
CID 87017159
(4-benzylsulfonylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 119105556
[3-(fluoromethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 163351427
(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119579801
1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione
CID 126851197
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 53032686
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 47044991

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).