4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

C15H18ClN3O4S — CID 121017885

IUPAC4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccncc2Cl)CC1
InChIInChI=1S/C15H18ClN3O4S/c1-10-15(11(2)23-18-10)24(20,21)19-7-4-12(5-8-19)22-14-3-6-17-9-13(14)16/h3,6,9,12H,4-5,7-8H2,1-2H3
InChIKeyIJVPYQNSWXULST-UHFFFAOYSA-N
MW371.85 g/mol
LogP2.57
Rot. Bonds4

About 4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 121017885) has the molecular formula C15H18ClN3O4S and a molecular weight of 371.85 g/mol. Its IUPAC name is 4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID121017885
Molecular FormulaC15H18ClN3O4S
Molecular Weight371.85 g/mol
Exact Mass371.07
IUPAC Name4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccncc2Cl)CC1
InChIInChI=1S/C15H18ClN3O4S/c1-10-15(11(2)23-18-10)24(20,21)19-7-4-12(5-8-19)22-14-3-6-17-9-13(14)16/h3,6,9,12H,4-5,7-8H2,1-2H3
InChIKeyIJVPYQNSWXULST-UHFFFAOYSA-N
XLogP2.57
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 133358884
4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide
CID 119100618
3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 119100620
3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole
CID 126951887
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887171
3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine
CID 119100292
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978160
2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953374
3,5-dimethyl-4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 100629745
O-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methyl]hydroxylamine
CID 39392885
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 63401014
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 5013931

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (CID 121017885) is 4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccncc2Cl)CC1.
What is the InChIKey of 4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is IJVPYQNSWXULST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O4S/c1-10-15(11(2)23-18-10)24(20,21)19-7-4-12(5-8-19)22-14-3-6-17-9-13(14)16/h3,6,9,12H,4-5,7-8H2,1-2H3.
What are the key properties of 4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 371.85 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 121017885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).