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

C23H24N4O4 — CID 46942815

IUPAC5-[1-(4-methoxybenzoyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCCC2c2cc(C(=O)NCc3cccnc3)no2)cc1
InChIInChI=1S/C23H24N4O4/c1-30-18-9-7-17(8-10-18)23(29)27-12-3-2-6-20(27)21-13-19(26-31-21)22(28)25-15-16-5-4-11-24-14-16/h4-5,7-11,13-14,20H,2-3,6,12,15H2,1H3,(H,25,28)
InChIKeyAYFADDBARRUXIQ-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.38
Rot. Bonds6

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

5-[1-(4-methoxybenzoyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 46942815) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-[1-(4-methoxybenzoyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(4-methoxybenzoyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID46942815
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name5-[1-(4-methoxybenzoyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCCC2c2cc(C(=O)NCc3cccnc3)no2)cc1
InChIInChI=1S/C23H24N4O4/c1-30-18-9-7-17(8-10-18)23(29)27-12-3-2-6-20(27)21-13-19(26-31-21)22(28)25-15-16-5-4-11-24-14-16/h4-5,7-11,13-14,20H,2-3,6,12,15H2,1H3,(H,25,28)
InChIKeyAYFADDBARRUXIQ-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[1-(4-methoxybenzoyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 46942815) is 5-[1-(4-methoxybenzoyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[1-(4-methoxybenzoyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[1-(4-methoxybenzoyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is COc1ccc(C(=O)N2CCCCC2c2cc(C(=O)NCc3cccnc3)no2)cc1.
What is the InChIKey of 5-[1-(4-methoxybenzoyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is AYFADDBARRUXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-30-18-9-7-17(8-10-18)23(29)27-12-3-2-6-20(27)21-13-19(26-31-21)22(28)25-15-16-5-4-11-24-14-16/h4-5,7-11,13-14,20H,2-3,6,12,15H2,1H3,(H,25,28).
What are the key properties of 5-[1-(4-methoxybenzoyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[1-(4-methoxybenzoyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.38, 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-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46942815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).