[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone

C17H20N2O4S — CID 604700

IUPAC[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H20N2O4S/c1-12-17(13(2)23-18-12)24(21,22)19-10-8-15(9-11-19)16(20)14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3
InChIKeyZOFQUIGMZQRXFY-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.58
Rot. Bonds4

About [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone (PubChem CID 604700) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone
PubChem CID604700
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H20N2O4S/c1-12-17(13(2)23-18-12)24(21,22)19-10-8-15(9-11-19)16(20)14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3
InChIKeyZOFQUIGMZQRXFY-UHFFFAOYSA-N
XLogP2.58
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone (CID 604700) is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is ZOFQUIGMZQRXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-17(13(2)23-18-12)24(21,22)19-10-8-15(9-11-19)16(20)14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3.
What are the key properties of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone?
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 348.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 604700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).