4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole

C15H22N4O — CID 71927060

IUPAC4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1cc(C2CCCN(Cc3nc(C)c(C)o3)C2)n[nH]1
InChIInChI=1S/C15H22N4O/c1-10-7-14(18-17-10)13-5-4-6-19(8-13)9-15-16-11(2)12(3)20-15/h7,13H,4-6,8-9H2,1-3H3,(H,17,18)
InChIKeyMXHXNCKGJMYSAR-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.70
Rot. Bonds3

About 4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole

4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 71927060) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID71927060
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1cc(C2CCCN(Cc3nc(C)c(C)o3)C2)n[nH]1
InChIInChI=1S/C15H22N4O/c1-10-7-14(18-17-10)13-5-4-6-19(8-13)9-15-16-11(2)12(3)20-15/h7,13H,4-6,8-9H2,1-3H3,(H,17,18)
InChIKeyMXHXNCKGJMYSAR-UHFFFAOYSA-N
XLogP2.70
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole (CID 71927060) is 4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole is Cc1cc(C2CCCN(Cc3nc(C)c(C)o3)C2)n[nH]1.
What is the InChIKey of 4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is MXHXNCKGJMYSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-7-14(18-17-10)13-5-4-6-19(8-13)9-15-16-11(2)12(3)20-15/h7,13H,4-6,8-9H2,1-3H3,(H,17,18).
What are the key properties of 4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 274.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 71927060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).