2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H25N5O2 — CID 71781218

IUPAC2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(C)n(CC2CCN(CC(=O)Nc3cc(C)on3)CC2)n1
InChIInChI=1S/C17H25N5O2/c1-12-8-13(2)22(19-12)10-15-4-6-21(7-5-15)11-17(23)18-16-9-14(3)24-20-16/h8-9,15H,4-7,10-11H2,1-3H3,(H,18,20,23)
InChIKeySWRGMKQVMBLRIQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.15
Rot. Bonds5

About 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 71781218) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID71781218
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(C)n(CC2CCN(CC(=O)Nc3cc(C)on3)CC2)n1
InChIInChI=1S/C17H25N5O2/c1-12-8-13(2)22(19-12)10-15-4-6-21(7-5-15)11-17(23)18-16-9-14(3)24-20-16/h8-9,15H,4-7,10-11H2,1-3H3,(H,18,20,23)
InChIKeySWRGMKQVMBLRIQ-UHFFFAOYSA-N
XLogP2.15
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 71781218) is 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(C)n(CC2CCN(CC(=O)Nc3cc(C)on3)CC2)n1.
What is the InChIKey of 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is SWRGMKQVMBLRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-8-13(2)22(19-12)10-15-4-6-21(7-5-15)11-17(23)18-16-9-14(3)24-20-16/h8-9,15H,4-7,10-11H2,1-3H3,(H,18,20,23).
What are the key properties of 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 71781218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).