3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide

C19H24N8O4S — CID 37045713

IUPAC3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H24N8O4S/c1-13-17(15(3)31-21-13)32(29,30)22-14(2)18(28)25-9-11-26(12-10-25)19-20-23-24-27(19)16-7-5-4-6-8-16/h4-8,14,22H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyVTKWCGNTJAVKSD-AWEZNQCLSA-N
MW460.52 g/mol
LogP0.28
Rot. Bonds6

About 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide (PubChem CID 37045713) has the molecular formula C19H24N8O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide
PubChem CID37045713
Molecular FormulaC19H24N8O4S
Molecular Weight460.52 g/mol
Exact Mass460.16
IUPAC Name3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H24N8O4S/c1-13-17(15(3)31-21-13)32(29,30)22-14(2)18(28)25-9-11-26(12-10-25)19-20-23-24-27(19)16-7-5-4-6-8-16/h4-8,14,22H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyVTKWCGNTJAVKSD-AWEZNQCLSA-N
XLogP0.28
TPSA139.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide
CID 30085204
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 33241393
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46412577
3,5-dimethyl-N-[(2S)-1-(3-methyl-2-phenylazetidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 102558465
N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55938540
(3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 43073604
N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 119423221
3,5-dimethyl-N-[(2S)-1-[(4S)-4-methylazepan-1-yl]-1-oxopropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 95040873
3,5-dimethyl-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 110347343
1-[3-methyl-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]butan-2-yl]-3-phenylurea
CID 56523114
N-[(2S)-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55938383
3,5-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 40710414

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide (CID 37045713) is 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide?
The InChIKey is VTKWCGNTJAVKSD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N8O4S/c1-13-17(15(3)31-21-13)32(29,30)22-14(2)18(28)25-9-11-26(12-10-25)19-20-23-24-27(19)16-7-5-4-6-8-16/h4-8,14,22H,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide has a molecular weight of 460.52 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 37045713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).