3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

C18H25N3O2S — CID 75438453

IUPAC3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCOc1ccc(CN2CCN(Cc3cc(C)on3)CC2)cc1SC
InChIInChI=1S/C18H25N3O2S/c1-14-10-16(19-23-14)13-21-8-6-20(7-9-21)12-15-4-5-17(22-2)18(11-15)24-3/h4-5,10-11H,6-9,12-13H2,1-3H3
InChIKeyPTBVDVBTDYADBD-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.03
Rot. Bonds6

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

3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 75438453) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID75438453
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCOc1ccc(CN2CCN(Cc3cc(C)on3)CC2)cc1SC
InChIInChI=1S/C18H25N3O2S/c1-14-10-16(19-23-14)13-21-8-6-20(7-9-21)12-15-4-5-17(22-2)18(11-15)24-3/h4-5,10-11H,6-9,12-13H2,1-3H3
InChIKeyPTBVDVBTDYADBD-UHFFFAOYSA-N
XLogP3.03
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-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

2-(3,4-dimethoxyphenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 110646397
2-(3,4-dimethoxyphenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110646485
(3-ethoxy-4-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86908243
3-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole
CID 23908201
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperazine
CID 117384517
3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8871816
3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole
CID 56810171
5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole
CID 71458168
(5-methylfuran-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56810132
3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole
CID 8872440
3-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 66202944
3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 9185372

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 75438453) is 3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is COc1ccc(CN2CCN(Cc3cc(C)on3)CC2)cc1SC.
What is the InChIKey of 3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is PTBVDVBTDYADBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-14-10-16(19-23-14)13-21-8-6-20(7-9-21)12-15-4-5-17(22-2)18(11-15)24-3/h4-5,10-11H,6-9,12-13H2,1-3H3.
What are the key properties of 3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 347.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 75438453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).