5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide

C16H16F3N3O3 — CID 2744592

IUPAC5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C16H16F3N3O3/c1-15(2,3)12-8-11(22-25-12)14(24)21-20-13(23)9-4-6-10(7-5-9)16(17,18)19/h4-8H,1-3H3,(H,20,23)(H,21,24)
InChIKeyNNRZOSACWNRZCE-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.07
Rot. Bonds2

About 5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide

5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 2744592) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide
PubChem CID2744592
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C16H16F3N3O3/c1-15(2,3)12-8-11(22-25-12)14(24)21-20-13(23)9-4-6-10(7-5-9)16(17,18)19/h4-8H,1-3H3,(H,20,23)(H,21,24)
InChIKeyNNRZOSACWNRZCE-UHFFFAOYSA-N
XLogP3.07
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide (CID 2744592) is 5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide is CC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is NNRZOSACWNRZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-15(2,3)12-8-11(22-25-12)14(24)21-20-13(23)9-4-6-10(7-5-9)16(17,18)19/h4-8H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide?
5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 355.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 2744592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).