2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole

C21H25N3O2 — CID 56739301

IUPAC2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCNC(C)C3)c(C)o2)c2ccccc12
InChIInChI=1S/C21H25N3O2/c1-14-12-24(11-10-22-14)13-19-15(2)26-21(23-19)18-8-9-20(25-3)17-7-5-4-6-16(17)18/h4-9,14,22H,10-13H2,1-3H3
InChIKeyVOXZHIHTOBTCJC-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.61
Rot. Bonds4

About 2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole

2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 56739301) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID56739301
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCNC(C)C3)c(C)o2)c2ccccc12
InChIInChI=1S/C21H25N3O2/c1-14-12-24(11-10-22-14)13-19-15(2)26-21(23-19)18-8-9-20(25-3)17-7-5-4-6-16(17)18/h4-9,14,22H,10-13H2,1-3H3
InChIKeyVOXZHIHTOBTCJC-UHFFFAOYSA-N
XLogP3.61
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-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

(2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
CID 26280342
2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229
5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 65448292
[1-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45170995
4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole
CID 28685330
2-(3-chlorophenyl)-5-methyl-4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95216234
[(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol
CID 95194346
(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 103173642
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42518336
4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 56877513
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95217240
[4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 154888895

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole (CID 56739301) is 2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole is COc1ccc(-c2nc(CN3CCNC(C)C3)c(C)o2)c2ccccc12.
What is the InChIKey of 2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is VOXZHIHTOBTCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-12-24(11-10-22-14)13-19-15(2)26-21(23-19)18-8-9-20(25-3)17-7-5-4-6-16(17)18/h4-9,14,22H,10-13H2,1-3H3.
What are the key properties of 2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole?
2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 351.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56739301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).