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

C18H20N4O — CID 51104399

IUPAC3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESc1ccc(-c2cc(CN3CCC(c4ccn[nH]4)CC3)on2)cc1
InChIInChI=1S/C18H20N4O/c1-2-4-14(5-3-1)18-12-16(23-21-18)13-22-10-7-15(8-11-22)17-6-9-19-20-17/h1-6,9,12,15H,7-8,10-11,13H2,(H,19,20)
InChIKeyNCGKKLCTZVEMSP-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.44
Rot. Bonds4

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

3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 51104399) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID51104399
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESc1ccc(-c2cc(CN3CCC(c4ccn[nH]4)CC3)on2)cc1
InChIInChI=1S/C18H20N4O/c1-2-4-14(5-3-1)18-12-16(23-21-18)13-22-10-7-15(8-11-22)17-6-9-19-20-17/h1-6,9,12,15H,7-8,10-11,13H2,(H,19,20)
InChIKeyNCGKKLCTZVEMSP-UHFFFAOYSA-N
XLogP3.44
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole (CID 51104399) is 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole is c1ccc(-c2cc(CN3CCC(c4ccn[nH]4)CC3)on2)cc1.
What is the InChIKey of 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is NCGKKLCTZVEMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-4-14(5-3-1)18-12-16(23-21-18)13-22-10-7-15(8-11-22)17-6-9-19-20-17/h1-6,9,12,15H,7-8,10-11,13H2,(H,19,20).
What are the key properties of 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 308.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 51104399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).