(5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide

C15H14N4O4S — CID 1485121

IUPAC(5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)[C@H]1CC(c2cccnc2)=NO1
InChIInChI=1S/C15H14N4O4S/c20-15(17-19-24(21,22)12-6-2-1-3-7-12)14-9-13(18-23-14)11-5-4-8-16-10-11/h1-8,10,14,19H,9H2,(H,17,20)/t14-/m1/s1
InChIKeyVFYGUALKJCHLQJ-CQSZACIVSA-N
MW346.37 g/mol
LogP0.58
Rot. Bonds5

About (5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide

(5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide (PubChem CID 1485121) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is (5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound Name(5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
PubChem CID1485121
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name(5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)[C@H]1CC(c2cccnc2)=NO1
InChIInChI=1S/C15H14N4O4S/c20-15(17-19-24(21,22)12-6-2-1-3-7-12)14-9-13(18-23-14)11-5-4-8-16-10-11/h1-8,10,14,19H,9H2,(H,17,20)/t14-/m1/s1
InChIKeyVFYGUALKJCHLQJ-CQSZACIVSA-N
XLogP0.58
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
The IUPAC name of (5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide (CID 1485121) is (5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for (5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for (5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide is O=C(NNS(=O)(=O)c1ccccc1)[C@H]1CC(c2cccnc2)=NO1.
What is the InChIKey of (5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
The InChIKey is VFYGUALKJCHLQJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14N4O4S/c20-15(17-19-24(21,22)12-6-2-1-3-7-12)14-9-13(18-23-14)11-5-4-8-16-10-11/h1-8,10,14,19H,9H2,(H,17,20)/t14-/m1/s1.
What are the key properties of (5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
(5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide has a molecular weight of 346.37 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 1485121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).