2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide

C15H19N3O4S — CID 136572903

IUPAC2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide
SMILESCc1nc(S(=O)(=O)NNC(=O)C(C)(C)C)c(-c2ccccc2)o1
InChIInChI=1S/C15H19N3O4S/c1-10-16-13(12(22-10)11-8-6-5-7-9-11)23(20,21)18-17-14(19)15(2,3)4/h5-9,18H,1-4H3,(H,17,19)
InChIKeyPGGSTMHFYLLLAK-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.01
Rot. Bonds4

About 2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide

2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide (PubChem CID 136572903) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide
PubChem CID136572903
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide
SMILESCc1nc(S(=O)(=O)NNC(=O)C(C)(C)C)c(-c2ccccc2)o1
InChIInChI=1S/C15H19N3O4S/c1-10-16-13(12(22-10)11-8-6-5-7-9-11)23(20,21)18-17-14(19)15(2,3)4/h5-9,18H,1-4H3,(H,17,19)
InChIKeyPGGSTMHFYLLLAK-UHFFFAOYSA-N
XLogP2.01
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide?
The IUPAC name of 2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide (CID 136572903) is 2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide?
The canonical SMILES for 2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide is Cc1nc(S(=O)(=O)NNC(=O)C(C)(C)C)c(-c2ccccc2)o1.
What is the InChIKey of 2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide?
The InChIKey is PGGSTMHFYLLLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10-16-13(12(22-10)11-8-6-5-7-9-11)23(20,21)18-17-14(19)15(2,3)4/h5-9,18H,1-4H3,(H,17,19).
What are the key properties of 2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide?
2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide has a molecular weight of 337.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide is sourced from PubChem (CID 136572903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).