4-benzyl-2-piperidin-3-yl-1,3-oxazole

C15H18N2O — CID 115044768

IUPAC4-benzyl-2-piperidin-3-yl-1,3-oxazole
SMILESc1ccc(Cc2coc(C3CCCNC3)n2)cc1
InChIInChI=1S/C15H18N2O/c1-2-5-12(6-3-1)9-14-11-18-15(17-14)13-7-4-8-16-10-13/h1-3,5-6,11,13,16H,4,7-10H2
InChIKeyVQWODMZHBJLNCO-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.73
Rot. Bonds3

About 4-benzyl-2-piperidin-3-yl-1,3-oxazole

4-benzyl-2-piperidin-3-yl-1,3-oxazole (PubChem CID 115044768) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-benzyl-2-piperidin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-piperidin-3-yl-1,3-oxazole
PubChem CID115044768
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-benzyl-2-piperidin-3-yl-1,3-oxazole
SMILESc1ccc(Cc2coc(C3CCCNC3)n2)cc1
InChIInChI=1S/C15H18N2O/c1-2-5-12(6-3-1)9-14-11-18-15(17-14)13-7-4-8-16-10-13/h1-3,5-6,11,13,16H,4,7-10H2
InChIKeyVQWODMZHBJLNCO-UHFFFAOYSA-N
XLogP2.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 115036792
4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
CID 90058028
2-benzyl-6-[(3R)-piperidin-3-yl]pyridine
CID 95808751
3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine
CID 59028677
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
2,4-di(piperidin-3-yl)-1,3-oxazole
CID 115040991
N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine
CID 134085508
4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84765750
2-(2-piperidin-3-yl-1,3-oxazol-4-yl)propan-1-amine
CID 115082647
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine
CID 115082091
N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846076
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)acetaldehyde
CID 115082035

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-piperidin-3-yl-1,3-oxazole?
The IUPAC name of 4-benzyl-2-piperidin-3-yl-1,3-oxazole (CID 115044768) is 4-benzyl-2-piperidin-3-yl-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-piperidin-3-yl-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-piperidin-3-yl-1,3-oxazole is c1ccc(Cc2coc(C3CCCNC3)n2)cc1.
What is the InChIKey of 4-benzyl-2-piperidin-3-yl-1,3-oxazole?
The InChIKey is VQWODMZHBJLNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-5-12(6-3-1)9-14-11-18-15(17-14)13-7-4-8-16-10-13/h1-3,5-6,11,13,16H,4,7-10H2.
What are the key properties of 4-benzyl-2-piperidin-3-yl-1,3-oxazole?
4-benzyl-2-piperidin-3-yl-1,3-oxazole has a molecular weight of 242.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-piperidin-3-yl-1,3-oxazole is sourced from PubChem (CID 115044768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).