(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C16H22N4O2 — CID 127247313

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCCCC1c1[nH]ncc1C
InChIInChI=1S/C16H22N4O2/c1-4-12-14(11(3)22-19-12)16(21)20-8-6-5-7-13(20)15-10(2)9-17-18-15/h9,13H,4-8H2,1-3H3,(H,17,18)
InChIKeyLRBZUDIEFJMSOZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.94
Rot. Bonds3

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 127247313) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID127247313
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCCCC1c1[nH]ncc1C
InChIInChI=1S/C16H22N4O2/c1-4-12-14(11(3)22-19-12)16(21)20-8-6-5-7-13(20)15-10(2)9-17-18-15/h9,13H,4-8H2,1-3H3,(H,17,18)
InChIKeyLRBZUDIEFJMSOZ-UHFFFAOYSA-N
XLogP2.94
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 127247313) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CCCCC1c1[nH]ncc1C.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is LRBZUDIEFJMSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-12-14(11(3)22-19-12)16(21)20-8-6-5-7-13(20)15-10(2)9-17-18-15/h9,13H,4-8H2,1-3H3,(H,17,18).
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 127247313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).