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

C21H23N3O3S — CID 110129098

IUPAC4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(C2CCN(S(=O)(=O)c3ccccc3)CC2)ccn1
InChIInChI=1S/C21H23N3O3S/c1-15-21(16(2)27-23-15)20-14-18(8-11-22-20)17-9-12-24(13-10-17)28(25,26)19-6-4-3-5-7-19/h3-8,11,14,17H,9-10,12-13H2,1-2H3
InChIKeyOATRQUSBOKCIAH-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.92
Rot. Bonds4

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

4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 110129098) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole
PubChem CID110129098
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(C2CCN(S(=O)(=O)c3ccccc3)CC2)ccn1
InChIInChI=1S/C21H23N3O3S/c1-15-21(16(2)27-23-15)20-14-18(8-11-22-20)17-9-12-24(13-10-17)28(25,26)19-6-4-3-5-7-19/h3-8,11,14,17H,9-10,12-13H2,1-2H3
InChIKeyOATRQUSBOKCIAH-UHFFFAOYSA-N
XLogP3.92
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110129109
[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone
CID 110135509
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 90589443
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine
CID 175652445
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 2810659
3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole
CID 167890240
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
[4-[1-(benzenesulfonyl)piperidin-4-yl]phenyl]boronic acid
CID 58343660
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 27444747
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 5138460
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110158985

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole (CID 110129098) is 4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cc(C2CCN(S(=O)(=O)c3ccccc3)CC2)ccn1.
What is the InChIKey of 4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is OATRQUSBOKCIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-21(16(2)27-23-15)20-14-18(8-11-22-20)17-9-12-24(13-10-17)28(25,26)19-6-4-3-5-7-19/h3-8,11,14,17H,9-10,12-13H2,1-2H3.
What are the key properties of 4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole?
4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 397.50 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 110129098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).