4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole

C12H14N4O4S — CID 122257661

IUPAC4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole
SMILESO=S(=O)(c1cnoc1)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C12H14N4O4S/c17-21(18,11-7-15-19-9-11)16-6-1-3-10(8-16)20-12-13-4-2-5-14-12/h2,4-5,7,9-10H,1,3,6,8H2
InChIKeyNDSYVUABJGCIEZ-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.70
Rot. Bonds4

About 4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole

4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole (PubChem CID 122257661) has the molecular formula C12H14N4O4S and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole
PubChem CID122257661
Molecular FormulaC12H14N4O4S
Molecular Weight310.33 g/mol
Exact Mass310.07
IUPAC Name4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole
SMILESO=S(=O)(c1cnoc1)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C12H14N4O4S/c17-21(18,11-7-15-19-9-11)16-6-1-3-10(8-16)20-12-13-4-2-5-14-12/h2,4-5,7,9-10H,1,3,6,8H2
InChIKeyNDSYVUABJGCIEZ-UHFFFAOYSA-N
XLogP0.70
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122257613
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018010
2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122257583
5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259163
5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259645
4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261625
5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122267332
4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline
CID 89245431
5-chloro-2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122259676
5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018022
5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259604
5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122258626

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole?
The IUPAC name of 4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole (CID 122257661) is 4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole.
What is the SMILES notation for 4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole?
The canonical SMILES for 4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole is O=S(=O)(c1cnoc1)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of 4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole?
The InChIKey is NDSYVUABJGCIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c17-21(18,11-7-15-19-9-11)16-6-1-3-10(8-16)20-12-13-4-2-5-14-12/h2,4-5,7,9-10H,1,3,6,8H2.
What are the key properties of 4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole?
4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole has a molecular weight of 310.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole is sourced from PubChem (CID 122257661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).