5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole

C21H25N3O — CID 51122237

IUPAC5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(C(C)c3ccc4ccccc4c3)CC2)no1
InChIInChI=1S/C21H25N3O/c1-16-13-21(22-25-16)15-23-9-11-24(12-10-23)17(2)19-8-7-18-5-3-4-6-20(18)14-19/h3-8,13-14,17H,9-12,15H2,1-2H3
InChIKeyCIMWISCDKQKWAE-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.02
Rot. Bonds4

About 5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole

5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 51122237) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID51122237
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(C(C)c3ccc4ccccc4c3)CC2)no1
InChIInChI=1S/C21H25N3O/c1-16-13-21(22-25-16)15-23-9-11-24(12-10-23)17(2)19-8-7-18-5-3-4-6-20(18)14-19/h3-8,13-14,17H,9-12,15H2,1-2H3
InChIKeyCIMWISCDKQKWAE-UHFFFAOYSA-N
XLogP4.02
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-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

1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine
CID 44768073
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8994154
3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 95787176
(2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 94767954
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 97317023
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
CID 78841963
3-amino-2-methyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119835184
3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 133370263
1-(1-naphthalen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 119907327
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 8636472
1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78827755

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole (CID 51122237) is 5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(C(C)c3ccc4ccccc4c3)CC2)no1.
What is the InChIKey of 5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is CIMWISCDKQKWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16-13-21(22-25-16)15-23-9-11-24(12-10-23)17(2)19-8-7-18-5-3-4-6-20(18)14-19/h3-8,13-14,17H,9-12,15H2,1-2H3.
What are the key properties of 5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 335.45 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 51122237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).