N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide

C22H16FN3O3S — CID 26419016

IUPACN'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C22H16FN3O3S/c1-13-19(20(26-29-13)15-5-3-2-4-6-15)22(28)25-24-21(27)18-12-11-17(30-18)14-7-9-16(23)10-8-14/h2-12H,1H3,(H,24,27)(H,25,28)
InChIKeyNCZCXLKTZVAPNG-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.59
Rot. Bonds4

About N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide

N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide (PubChem CID 26419016) has the molecular formula C22H16FN3O3S and a molecular weight of 421.45 g/mol. Its IUPAC name is N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
PubChem CID26419016
Molecular FormulaC22H16FN3O3S
Molecular Weight421.45 g/mol
Exact Mass421.09
IUPAC NameN'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C22H16FN3O3S/c1-13-19(20(26-29-13)15-5-3-2-4-6-15)22(28)25-24-21(27)18-12-11-17(30-18)14-7-9-16(23)10-8-14/h2-12H,1H3,(H,24,27)(H,25,28)
InChIKeyNCZCXLKTZVAPNG-UHFFFAOYSA-N
XLogP4.59
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.59
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'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide (CID 26419016) is N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is NCZCXLKTZVAPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3S/c1-13-19(20(26-29-13)15-5-3-2-4-6-15)22(28)25-24-21(27)18-12-11-17(30-18)14-7-9-16(23)10-8-14/h2-12H,1H3,(H,24,27)(H,25,28).
What are the key properties of N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 421.45 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 26419016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).