5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole

C15H18N2O — CID 142020572

IUPAC5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole
SMILESCN1CCC(c2cc(-c3ccccc3)no2)CC1
InChIInChI=1S/C15H18N2O/c1-17-9-7-13(8-10-17)15-11-14(16-18-15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyRAOQCHYGKYOXQZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.15
Rot. Bonds2

About 5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole

5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole (PubChem CID 142020572) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole
PubChem CID142020572
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole
SMILESCN1CCC(c2cc(-c3ccccc3)no2)CC1
InChIInChI=1S/C15H18N2O/c1-17-9-7-13(8-10-17)15-11-14(16-18-15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyRAOQCHYGKYOXQZ-UHFFFAOYSA-N
XLogP3.15
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole
CID 142020979
3-phenyl-5-piperidin-4-yl-1,2-oxazole
CID 59732015
3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117461860
3-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117461861
3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
CID 10242348
4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine
CID 20687157
4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine
CID 59007278
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 70761884
tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
CID 124564337
6-methyl-3-methylidene-4-(3-phenyl-1,2-oxazol-5-yl)oxan-2-one
CID 134970913
5-[(2S,3S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole;hydrochloride
CID 69274069
3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 170765884

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole?
The IUPAC name of 5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole (CID 142020572) is 5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole is CN1CCC(c2cc(-c3ccccc3)no2)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole?
The InChIKey is RAOQCHYGKYOXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17-9-7-13(8-10-17)15-11-14(16-18-15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3.
What are the key properties of 5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole?
5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole has a molecular weight of 242.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole is sourced from PubChem (CID 142020572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).