5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide

C17H14N4O3 — CID 35153228

IUPAC5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide
SMILESCc1oc(-c2ccccc2)nc1C(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C17H14N4O3/c1-11-14(19-17(24-11)12-6-3-2-4-7-12)16(23)21-20-15(22)13-8-5-9-18-10-13/h2-10H,1H3,(H,20,22)(H,21,23)
InChIKeyBZYKERRTWNHYPG-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.12
Rot. Bonds3

About 5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide

5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide (PubChem CID 35153228) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide
PubChem CID35153228
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide
SMILESCc1oc(-c2ccccc2)nc1C(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C17H14N4O3/c1-11-14(19-17(24-11)12-6-3-2-4-7-12)16(23)21-20-15(22)13-8-5-9-18-10-13/h2-10H,1H3,(H,20,22)(H,21,23)
InChIKeyBZYKERRTWNHYPG-UHFFFAOYSA-N
XLogP2.12
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.12
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 5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide?
The IUPAC name of 5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide (CID 35153228) is 5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide is Cc1oc(-c2ccccc2)nc1C(=O)NNC(=O)c1cccnc1.
What is the InChIKey of 5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide?
The InChIKey is BZYKERRTWNHYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-11-14(19-17(24-11)12-6-3-2-4-7-12)16(23)21-20-15(22)13-8-5-9-18-10-13/h2-10H,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide?
5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide has a molecular weight of 322.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N'-(pyridine-3-carbonyl)-1,3-oxazole-4-carbohydrazide is sourced from PubChem (CID 35153228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).