2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole

C19H20N2O4S — CID 21008046

IUPAC2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C19H20N2O4S/c1-24-15-6-8-16(9-7-15)26(22,23)21-12-10-14(11-13-21)19-20-17-4-2-3-5-18(17)25-19/h2-9,14H,10-13H2,1H3
InChIKeyXSUYYGBZIOKEPN-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.40
Rot. Bonds4

About 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole

2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole (PubChem CID 21008046) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole
PubChem CID21008046
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C19H20N2O4S/c1-24-15-6-8-16(9-7-15)26(22,23)21-12-10-14(11-13-21)19-20-17-4-2-3-5-18(17)25-19/h2-9,14H,10-13H2,1H3
InChIKeyXSUYYGBZIOKEPN-UHFFFAOYSA-N
XLogP3.40
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylaniline
CID 20983588
4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 171678470
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 5138460
5-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 27543125
1-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-6-methoxyindole-2,3-dione
CID 55626989
(E)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 51231314
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 43012683
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 55432612
6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide
CID 17421706
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
2-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole
CID 93016254

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole (CID 21008046) is 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole is COc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole?
The InChIKey is XSUYYGBZIOKEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-24-15-6-8-16(9-7-15)26(22,23)21-12-10-14(11-13-21)19-20-17-4-2-3-5-18(17)25-19/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole?
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole has a molecular weight of 372.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 21008046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).