5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine

C14H18N4O3S — CID 56920069

IUPAC5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine
SMILESCc1onc(N)c1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H18N4O3S/c1-11-13(14(15)16-21-11)22(19,20)18-9-7-17(8-10-18)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,15,16)
InChIKeyORAWNFDVKLDBDD-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.08
Rot. Bonds3

About 5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine

5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine (PubChem CID 56920069) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine
PubChem CID56920069
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine
SMILESCc1onc(N)c1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H18N4O3S/c1-11-13(14(15)16-21-11)22(19,20)18-9-7-17(8-10-18)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,15,16)
InChIKeyORAWNFDVKLDBDD-UHFFFAOYSA-N
XLogP1.08
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine
CID 56731158
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
3,5-dimethyl-4-[[4-(4-methylphenyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 75461716
4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine
CID 154745649
1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine
CID 138529969
3,5-dimethyl-4-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 113077780
4-[4-(2,6-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080468
1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid
CID 122070283
3,5-dimethyl-4-[[4-(4-nitrophenyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 30159035
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 90589443
4-[4-(2,5-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080319
[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]imidazolidin-1-yl]-cyclopropylmethanone
CID 128851929

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine (CID 56920069) is 5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine is Cc1onc(N)c1S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine?
The InChIKey is ORAWNFDVKLDBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-11-13(14(15)16-21-11)22(19,20)18-9-7-17(8-10-18)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,15,16).
What are the key properties of 5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine?
5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine has a molecular weight of 322.39 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine is sourced from PubChem (CID 56920069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).