4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine

C15H20N4O4S — CID 56731158

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2c(N)noc2C)CC1
InChIInChI=1S/C15H20N4O4S/c1-11-14(15(16)17-23-11)24(20,21)19-9-7-18(8-10-19)12-5-3-4-6-13(12)22-2/h3-6H,7-10H2,1-2H3,(H2,16,17)
InChIKeyVOBBXZMBKSVPAC-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.08
Rot. Bonds4

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine

4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine (PubChem CID 56731158) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine
PubChem CID56731158
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2c(N)noc2C)CC1
InChIInChI=1S/C15H20N4O4S/c1-11-14(15(16)17-23-11)24(20,21)19-9-7-18(8-10-19)12-5-3-4-6-13(12)22-2/h3-6H,7-10H2,1-2H3,(H2,16,17)
InChIKeyVOBBXZMBKSVPAC-UHFFFAOYSA-N
XLogP1.08
TPSA101.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine
CID 56920069
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 22515858
1-(2-methoxyphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine
CID 1049011
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 3720824

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine (CID 56731158) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine is COc1ccccc1N1CCN(S(=O)(=O)c2c(N)noc2C)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine?
The InChIKey is VOBBXZMBKSVPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-11-14(15(16)17-23-11)24(20,21)19-9-7-18(8-10-19)12-5-3-4-6-13(12)22-2/h3-6H,7-10H2,1-2H3,(H2,16,17).
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine?
4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine has a molecular weight of 352.42 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 56731158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).