4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C21H23N5O4 — CID 24818960

IUPAC4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cc(C)on3)CC2)cc1
InChIInChI=1S/C21H23N5O4/c1-14-13-18(24-30-14)21(28)25-11-8-16(9-12-25)26-19(7-10-22-26)23-20(27)15-3-5-17(29-2)6-4-15/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,23,27)
InChIKeyXKXNWXVRJTVKOC-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.92
Rot. Bonds5

About 4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24818960) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24818960
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cc(C)on3)CC2)cc1
InChIInChI=1S/C21H23N5O4/c1-14-13-18(24-30-14)21(28)25-11-8-16(9-12-25)26-19(7-10-22-26)23-20(27)15-3-5-17(29-2)6-4-15/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,23,27)
InChIKeyXKXNWXVRJTVKOC-UHFFFAOYSA-N
XLogP2.92
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24818960) is 4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cc(C)on3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is XKXNWXVRJTVKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-14-13-18(24-30-14)21(28)25-11-8-16(9-12-25)26-19(7-10-22-26)23-20(27)15-3-5-17(29-2)6-4-15/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,23,27).
What are the key properties of 4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 409.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24818960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).