2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide

C22H27N5O2 — CID 91904857

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C22H27N5O2/c1-15-19(16(2)29-26-15)12-22(28)23-14-17-8-10-27(11-9-17)21-13-20(24-25-21)18-6-4-3-5-7-18/h3-7,13,17H,8-12,14H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyZECYCTIABCNWHA-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.26
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 91904857) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide
PubChem CID91904857
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C22H27N5O2/c1-15-19(16(2)29-26-15)12-22(28)23-14-17-8-10-27(11-9-17)21-13-20(24-25-21)18-6-4-3-5-7-18/h3-7,13,17H,8-12,14H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyZECYCTIABCNWHA-UHFFFAOYSA-N
XLogP3.26
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide (CID 91904857) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide is Cc1noc(C)c1CC(=O)NCC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is ZECYCTIABCNWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-19(16(2)29-26-15)12-22(28)23-14-17-8-10-27(11-9-17)21-13-20(24-25-21)18-6-4-3-5-7-18/h3-7,13,17H,8-12,14H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 91904857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).