N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide

C19H25N3O5S — CID 45191105

IUPACN-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
SMILESCC(c1ccon1)N(C)C(=O)c1cccc(OC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C19H25N3O5S/c1-14(18-9-12-26-20-18)21(2)19(23)15-5-4-6-17(13-15)27-16-7-10-22(11-8-16)28(3,24)25/h4-6,9,12-14,16H,7-8,10-11H2,1-3H3
InChIKeyJTKRVAVQRZVPMJ-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.31
Rot. Bonds6

About N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide

N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide (PubChem CID 45191105) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
PubChem CID45191105
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC NameN-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
SMILESCC(c1ccon1)N(C)C(=O)c1cccc(OC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C19H25N3O5S/c1-14(18-9-12-26-20-18)21(2)19(23)15-5-4-6-17(13-15)27-16-7-10-22(11-8-16)28(3,24)25/h4-6,9,12-14,16H,7-8,10-11H2,1-3H3
InChIKeyJTKRVAVQRZVPMJ-UHFFFAOYSA-N
XLogP2.31
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide?
The IUPAC name of N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide (CID 45191105) is N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide.
What is the SMILES notation for N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide?
The canonical SMILES for N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide is CC(c1ccon1)N(C)C(=O)c1cccc(OC2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide?
The InChIKey is JTKRVAVQRZVPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-14(18-9-12-26-20-18)21(2)19(23)15-5-4-6-17(13-15)27-16-7-10-22(11-8-16)28(3,24)25/h4-6,9,12-14,16H,7-8,10-11H2,1-3H3.
What are the key properties of N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide?
N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide has a molecular weight of 407.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 45191105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).