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

C18H25N3O3S — CID 110646440

IUPAC5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(S(=O)(=O)CCCc3ccccc3)CC2)no1
InChIInChI=1S/C18H25N3O3S/c1-16-14-18(19-24-16)15-20-9-11-21(12-10-20)25(22,23)13-5-8-17-6-3-2-4-7-17/h2-4,6-7,14H,5,8-13,15H2,1H3
InChIKeyXQNCJDZPMSVKGF-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.06
Rot. Bonds7

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

5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 110646440) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID110646440
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(S(=O)(=O)CCCc3ccccc3)CC2)no1
InChIInChI=1S/C18H25N3O3S/c1-16-14-18(19-24-16)15-20-9-11-21(12-10-20)25(22,23)13-5-8-17-6-3-2-4-7-17/h2-4,6-7,14H,5,8-13,15H2,1H3
InChIKeyXQNCJDZPMSVKGF-UHFFFAOYSA-N
XLogP2.06
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931
3,5-dimethyl-4-[[4-(3-phenylpropylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2-oxazole
CID 110646668
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 9185372
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
1-[(4-methylphenyl)methyl]-4-(2-phenylethylsulfonyl)piperazine
CID 110398775
1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 110708725
5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 26424144
3-[[4-(2-ethylsulfonylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 100663408
N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 154882868
1-octadecylsulfonyl-4-(2-phenylethyl)piperazine
CID 68994874
(2-methylphenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone
CID 110365415

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole (CID 110646440) is 5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(S(=O)(=O)CCCc3ccccc3)CC2)no1.
What is the InChIKey of 5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is XQNCJDZPMSVKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-16-14-18(19-24-16)15-20-9-11-21(12-10-20)25(22,23)13-5-8-17-6-3-2-4-7-17/h2-4,6-7,14H,5,8-13,15H2,1H3.
What are the key properties of 5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 363.48 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 110646440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).