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

C17H14FN3O3S — CID 26419018

IUPACN'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,5-dimethyl-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(C)c1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H14FN3O3S/c1-9-15(10(2)24-21-9)17(23)20-19-16(22)14-8-7-13(25-14)11-3-5-12(18)6-4-11/h3-8H,1-2H3,(H,19,22)(H,20,23)
InChIKeyHBNCIFUHMIYLGO-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.23
Rot. Bonds3

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

N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,5-dimethyl-1,2-oxazole-4-carbohydrazide (PubChem CID 26419018) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,5-dimethyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,5-dimethyl-1,2-oxazole-4-carbohydrazide
PubChem CID26419018
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC NameN'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,5-dimethyl-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(C)c1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H14FN3O3S/c1-9-15(10(2)24-21-9)17(23)20-19-16(22)14-8-7-13(25-14)11-3-5-12(18)6-4-11/h3-8H,1-2H3,(H,19,22)(H,20,23)
InChIKeyHBNCIFUHMIYLGO-UHFFFAOYSA-N
XLogP3.23
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.23
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]-3,5-dimethyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,5-dimethyl-1,2-oxazole-4-carbohydrazide (CID 26419018) is N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,5-dimethyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,5-dimethyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,5-dimethyl-1,2-oxazole-4-carbohydrazide is Cc1noc(C)c1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,5-dimethyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is HBNCIFUHMIYLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c1-9-15(10(2)24-21-9)17(23)20-19-16(22)14-8-7-13(25-14)11-3-5-12(18)6-4-11/h3-8H,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,5-dimethyl-1,2-oxazole-4-carbohydrazide?
N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,5-dimethyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 359.38 g/mol, XLogP of 3.23, 3 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]-3,5-dimethyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 26419018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).