[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

C25H23N3O2 — CID 55668581

IUPAC[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)no1)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C25H23N3O2/c29-25(24-17-23(26-30-24)20-8-2-1-3-9-20)28-15-13-27(14-16-28)18-21-11-6-10-19-7-4-5-12-22(19)21/h1-12,17H,13-16,18H2
InChIKeyBWTVOBWDAMFATJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.45
Rot. Bonds4

About [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (PubChem CID 55668581) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
PubChem CID55668581
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)no1)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C25H23N3O2/c29-25(24-17-23(26-30-24)20-8-2-1-3-9-20)28-15-13-27(14-16-28)18-21-11-6-10-19-7-4-5-12-22(19)21/h1-12,17H,13-16,18H2
InChIKeyBWTVOBWDAMFATJ-UHFFFAOYSA-N
XLogP4.45
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone 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

[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 32854385
(3-phenyl-1,2-oxazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 55646382
(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397599
[(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone
CID 92576677
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 56749202
[4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 60956875
5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 9047136
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 17145985
[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38429477
(3-methyl-1,2-oxazol-5-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250144
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 30760408

Frequently Asked Questions

What is the IUPAC name of [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (CID 55668581) is [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)no1)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The InChIKey is BWTVOBWDAMFATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-25(24-17-23(26-30-24)20-8-2-1-3-9-20)28-15-13-27(14-16-28)18-21-11-6-10-19-7-4-5-12-22(19)21/h1-12,17H,13-16,18H2.
What are the key properties of [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone has a molecular weight of 397.48 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 55668581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).