N'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide

C16H11F2N3O3S — CID 2744088

IUPACN'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(-c2cccs2)c1C(=O)NNC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H11F2N3O3S/c1-8-12(14(24-21-8)11-6-3-7-25-11)15(22)19-20-16(23)13-9(17)4-2-5-10(13)18/h2-7H,1H3,(H,19,22)(H,20,23)
InChIKeyJMXCPHXGCUXZSV-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.06
Rot. Bonds3

About N'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide

N'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide (PubChem CID 2744088) has the molecular formula C16H11F2N3O3S and a molecular weight of 363.35 g/mol. Its IUPAC name is N'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide
PubChem CID2744088
Molecular FormulaC16H11F2N3O3S
Molecular Weight363.35 g/mol
Exact Mass363.05
IUPAC NameN'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(-c2cccs2)c1C(=O)NNC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H11F2N3O3S/c1-8-12(14(24-21-8)11-6-3-7-25-11)15(22)19-20-16(23)13-9(17)4-2-5-10(13)18/h2-7H,1H3,(H,19,22)(H,20,23)
InChIKeyJMXCPHXGCUXZSV-UHFFFAOYSA-N
XLogP3.06
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.06
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 N'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide (CID 2744088) is N'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide is Cc1noc(-c2cccs2)c1C(=O)NNC(=O)c1c(F)cccc1F.
What is the InChIKey of N'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide?
The InChIKey is JMXCPHXGCUXZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O3S/c1-8-12(14(24-21-8)11-6-3-7-25-11)15(22)19-20-16(23)13-9(17)4-2-5-10(13)18/h2-7H,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide?
N'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide has a molecular weight of 363.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorobenzoyl)-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 2744088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).