4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole

C20H22N2O — CID 59486834

IUPAC4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole
SMILESc1ccc(C2=C(c3ccccc3)OC(C3CCNCC3)N2)cc1
InChIInChI=1S/C20H22N2O/c1-3-7-15(8-4-1)18-19(16-9-5-2-6-10-16)23-20(22-18)17-11-13-21-14-12-17/h1-10,17,20-22H,11-14H2
InChIKeyCYUSFAMJWPHFDZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.46
Rot. Bonds3

About 4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole

4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole (PubChem CID 59486834) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole
PubChem CID59486834
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole
SMILESc1ccc(C2=C(c3ccccc3)OC(C3CCNCC3)N2)cc1
InChIInChI=1S/C20H22N2O/c1-3-7-15(8-4-1)18-19(16-9-5-2-6-10-16)23-20(22-18)17-11-13-21-14-12-17/h1-10,17,20-22H,11-14H2
InChIKeyCYUSFAMJWPHFDZ-UHFFFAOYSA-N
XLogP3.46
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Benzyloxy-2-phenyl-piperidine
CID 44331794
2-Phenyl-3-(1-phenyl-ethoxy)-piperidine
CID 44331715
1-Benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride
CID 45262132
N-benzyl-2-[(2R,6S)-6-phenyloxan-2-yl]ethanamine
CID 164612462
N-benzyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine
CID 164614355
2,3-Diphenylmorpholine
CID 237154
Benzylamine, N-(4-(benzyloxymethyl)cyclohexyl)methyl-, dihydrochloride
CID 116109
(R)-N4-Benzyl-2-(benzyloxymethyl)piperazine
CID 10803904
1-Benzyl-4-((benzyloxy)methyl)piperidine
CID 10063111
1-(1-Phenyl-2-phenylmethoxyethyl)piperazine
CID 44358420
2-(3-{[4-(Benzyloxy)-1-piperidinyl]methyl}phenyl)ethanamine
CID 56904831
2H-1,3-Oxazine, tetrahydro-2-phenyl-
CID 352488

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole?
The IUPAC name of 4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole (CID 59486834) is 4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole is c1ccc(C2=C(c3ccccc3)OC(C3CCNCC3)N2)cc1.
What is the InChIKey of 4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole?
The InChIKey is CYUSFAMJWPHFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-3-7-15(8-4-1)18-19(16-9-5-2-6-10-16)23-20(22-18)17-11-13-21-14-12-17/h1-10,17,20-22H,11-14H2.
What are the key properties of 4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole?
4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole has a molecular weight of 306.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-piperidin-4-yl-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 59486834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).