5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

C23H24N4O4 — CID 46943864

IUPAC5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(c3cc(C(=O)NCc4cccnc4)no3)C2)cc1
InChIInChI=1S/C23H24N4O4/c1-30-19-8-6-17(7-9-19)23(29)27-11-3-5-18(15-27)21-12-20(26-31-21)22(28)25-14-16-4-2-10-24-13-16/h2,4,6-10,12-13,18H,3,5,11,14-15H2,1H3,(H,25,28)
InChIKeyVNCXHMHLNUCZBM-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.03
Rot. Bonds6

About 5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 46943864) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID46943864
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(c3cc(C(=O)NCc4cccnc4)no3)C2)cc1
InChIInChI=1S/C23H24N4O4/c1-30-19-8-6-17(7-9-19)23(29)27-11-3-5-18(15-27)21-12-20(26-31-21)22(28)25-14-16-4-2-10-24-13-16/h2,4,6-10,12-13,18H,3,5,11,14-15H2,1H3,(H,25,28)
InChIKeyVNCXHMHLNUCZBM-UHFFFAOYSA-N
XLogP3.03
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 46943864) is 5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is COc1ccc(C(=O)N2CCCC(c3cc(C(=O)NCc4cccnc4)no3)C2)cc1.
What is the InChIKey of 5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VNCXHMHLNUCZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-30-19-8-6-17(7-9-19)23(29)27-11-3-5-18(15-27)21-12-20(26-31-21)22(28)25-14-16-4-2-10-24-13-16/h2,4,6-10,12-13,18H,3,5,11,14-15H2,1H3,(H,25,28).
What are the key properties of 5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46943864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).