3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide

C20H27N3O3 — CID 134154850

IUPAC3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCC(C)c1cc(CNC(=O)c2cccc(OC3CCN(C)CC3)c2)on1
InChIInChI=1S/C20H27N3O3/c1-14(2)19-12-18(26-22-19)13-21-20(24)15-5-4-6-17(11-15)25-16-7-9-23(3)10-8-16/h4-6,11-12,14,16H,7-10,13H2,1-3H3,(H,21,24)
InChIKeyOTWWQGNIWYUHKG-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.20
Rot. Bonds6

About 3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide

3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 134154850) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID134154850
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCC(C)c1cc(CNC(=O)c2cccc(OC3CCN(C)CC3)c2)on1
InChIInChI=1S/C20H27N3O3/c1-14(2)19-12-18(26-22-19)13-21-20(24)15-5-4-6-17(11-15)25-16-7-9-23(3)10-8-16/h4-6,11-12,14,16H,7-10,13H2,1-3H3,(H,21,24)
InChIKeyOTWWQGNIWYUHKG-UHFFFAOYSA-N
XLogP3.20
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide (CID 134154850) is 3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide is CC(C)c1cc(CNC(=O)c2cccc(OC3CCN(C)CC3)c2)on1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is OTWWQGNIWYUHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)19-12-18(26-22-19)13-21-20(24)15-5-4-6-17(11-15)25-16-7-9-23(3)10-8-16/h4-6,11-12,14,16H,7-10,13H2,1-3H3,(H,21,24).
What are the key properties of 3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 357.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 134154850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).