4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide

C22H31N3O4 — CID 70678458

IUPAC4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OCCN1CCCCC1
InChIInChI=1S/C22H31N3O4/c1-16(2)19-14-18(29-24-19)15-23-22(26)17-7-8-20(27-3)21(13-17)28-12-11-25-9-5-4-6-10-25/h7-8,13-14,16H,4-6,9-12,15H2,1-3H3,(H,23,26)
InChIKeyUFFYJUZFFYYLGA-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.60
Rot. Bonds9

About 4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide

4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 70678458) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID70678458
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OCCN1CCCCC1
InChIInChI=1S/C22H31N3O4/c1-16(2)19-14-18(29-24-19)15-23-22(26)17-7-8-20(27-3)21(13-17)28-12-11-25-9-5-4-6-10-25/h7-8,13-14,16H,4-6,9-12,15H2,1-3H3,(H,23,26)
InChIKeyUFFYJUZFFYYLGA-UHFFFAOYSA-N
XLogP3.60
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide (CID 70678458) is 4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide is COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OCCN1CCCCC1.
What is the InChIKey of 4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is UFFYJUZFFYYLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-16(2)19-14-18(29-24-19)15-23-22(26)17-7-8-20(27-3)21(13-17)28-12-11-25-9-5-4-6-10-25/h7-8,13-14,16H,4-6,9-12,15H2,1-3H3,(H,23,26).
What are the key properties of 4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-piperidin-1-ylethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 70678458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).