3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide

C14H17N5O5S — CID 36838227

IUPAC3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C14H17N5O5S/c1-8-12(10(3)24-18-8)25(22,23)19-9(2)13(20)16-17-14(21)11-6-4-5-7-15-11/h4-7,9,19H,1-3H3,(H,16,20)(H,17,21)/t9-/m0/s1
InChIKeyILBLZDRCHPXAFO-VIFPVBQESA-N
MW367.39 g/mol
LogP-0.19
Rot. Bonds5

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

3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide (PubChem CID 36838227) has the molecular formula C14H17N5O5S and a molecular weight of 367.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide
PubChem CID36838227
Molecular FormulaC14H17N5O5S
Molecular Weight367.39 g/mol
Exact Mass367.10
IUPAC Name3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C14H17N5O5S/c1-8-12(10(3)24-18-8)25(22,23)19-9(2)13(20)16-17-14(21)11-6-4-5-7-15-11/h4-7,9,19H,1-3H3,(H,16,20)(H,17,21)/t9-/m0/s1
InChIKeyILBLZDRCHPXAFO-VIFPVBQESA-N
XLogP-0.19
TPSA143.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 92786137
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide (CID 36838227) is 3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccccn1.
What is the InChIKey of 3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide?
The InChIKey is ILBLZDRCHPXAFO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N5O5S/c1-8-12(10(3)24-18-8)25(22,23)19-9(2)13(20)16-17-14(21)11-6-4-5-7-15-11/h4-7,9,19H,1-3H3,(H,16,20)(H,17,21)/t9-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide has a molecular weight of 367.39 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 36838227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).