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

C15H21N5O2 — CID 97004525

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
SMILESCc1cc([C@@H]2CCCN(CC(=O)Nc3cc(C)on3)C2)n[nH]1
InChIInChI=1S/C15H21N5O2/c1-10-6-13(18-17-10)12-4-3-5-20(8-12)9-15(21)16-14-7-11(2)22-19-14/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,18)(H,16,19,21)/t12-/m1/s1
InChIKeyWRPMWXQMCRHXHQ-GFCCVEGCSA-N
MW303.37 g/mol
LogP1.83
Rot. Bonds4

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 97004525) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
PubChem CID97004525
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
SMILESCc1cc([C@@H]2CCCN(CC(=O)Nc3cc(C)on3)C2)n[nH]1
InChIInChI=1S/C15H21N5O2/c1-10-6-13(18-17-10)12-4-3-5-20(8-12)9-15(21)16-14-7-11(2)22-19-14/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,18)(H,16,19,21)/t12-/m1/s1
InChIKeyWRPMWXQMCRHXHQ-GFCCVEGCSA-N
XLogP1.83
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide (CID 97004525) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide is Cc1cc([C@@H]2CCCN(CC(=O)Nc3cc(C)on3)C2)n[nH]1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is WRPMWXQMCRHXHQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10-6-13(18-17-10)12-4-3-5-20(8-12)9-15(21)16-14-7-11(2)22-19-14/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,18)(H,16,19,21)/t12-/m1/s1.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 303.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 97004525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).