3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole

C16H21N3O4S — CID 110645929

IUPAC3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cc(C)on3)CC2)cc1C
InChIInChI=1S/C16H21N3O4S/c1-12-10-14(4-5-15(12)22-3)24(20,21)19-8-6-18(7-9-19)16-11-13(2)23-17-16/h4-5,10-11H,6-9H2,1-3H3
InChIKeyRMMOGYQZTZSCPO-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.81
Rot. Bonds4

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

3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole (PubChem CID 110645929) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
PubChem CID110645929
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cc(C)on3)CC2)cc1C
InChIInChI=1S/C16H21N3O4S/c1-12-10-14(4-5-15(12)22-3)24(20,21)19-8-6-18(7-9-19)16-11-13(2)23-17-16/h4-5,10-11H,6-9H2,1-3H3
InChIKeyRMMOGYQZTZSCPO-UHFFFAOYSA-N
XLogP1.81
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
CID 110422436
3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
CID 110645928
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122341904
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
1-tert-butyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 113074863
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035214
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline
CID 113078794
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline
CID 108781202
1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 2211092
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine
CID 110740054
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole (CID 110645929) is 3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole is COc1ccc(S(=O)(=O)N2CCN(c3cc(C)on3)CC2)cc1C.
What is the InChIKey of 3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole?
The InChIKey is RMMOGYQZTZSCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-12-10-14(4-5-15(12)22-3)24(20,21)19-8-6-18(7-9-19)16-11-13(2)23-17-16/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole?
3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole has a molecular weight of 351.43 g/mol, XLogP of 1.81, 4 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-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 110645929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).