5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

C10H17N5O4S — CID 63572291

IUPAC5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCS(=O)(=O)N1CCN(Cc2cc(C(=O)NN)no2)CC1
InChIInChI=1S/C10H17N5O4S/c1-20(17,18)15-4-2-14(3-5-15)7-8-6-9(13-19-8)10(16)12-11/h6H,2-5,7,11H2,1H3,(H,12,16)
InChIKeyLZJRXPFHGXFJQS-UHFFFAOYSA-N
MW303.34 g/mol
LogP-1.64
Rot. Bonds4

About 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63572291) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63572291
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCS(=O)(=O)N1CCN(Cc2cc(C(=O)NN)no2)CC1
InChIInChI=1S/C10H17N5O4S/c1-20(17,18)15-4-2-14(3-5-15)7-8-6-9(13-19-8)10(16)12-11/h6H,2-5,7,11H2,1H3,(H,12,16)
InChIKeyLZJRXPFHGXFJQS-UHFFFAOYSA-N
XLogP-1.64
TPSA121.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45505521
3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)-N-propylsulfonylpiperidine-3-carboxamide
CID 49790070
5-methyl-N-(2-(4-(methylsulfonyl)piperazin-1-yl)ethyl)isoxazole-3-carboxamide hydrochloride
CID 71782847
5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 55214218
5-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63583927
5-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585010
5-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585217
5-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585404
5-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585598
5-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 65545520
5-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 65545780
5-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 65546007

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 63572291) is 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is CS(=O)(=O)N1CCN(Cc2cc(C(=O)NN)no2)CC1.
What is the InChIKey of 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is LZJRXPFHGXFJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-20(17,18)15-4-2-14(3-5-15)7-8-6-9(13-19-8)10(16)12-11/h6H,2-5,7,11H2,1H3,(H,12,16).
What are the key properties of 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 303.34 g/mol, XLogP of -1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63572291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).