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

C18H17N3O4S — CID 55704486

IUPACN'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2nc(-c3cccs3)oc2C)cc1
InChIInChI=1S/C18H17N3O4S/c1-3-24-13-8-6-12(7-9-13)16(22)20-21-17(23)15-11(2)25-18(19-15)14-5-4-10-26-14/h4-10H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWXFGZGJREUCULC-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.19
Rot. Bonds5

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

N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide (PubChem CID 55704486) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
PubChem CID55704486
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2nc(-c3cccs3)oc2C)cc1
InChIInChI=1S/C18H17N3O4S/c1-3-24-13-8-6-12(7-9-13)16(22)20-21-17(23)15-11(2)25-18(19-15)14-5-4-10-26-14/h4-10H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWXFGZGJREUCULC-UHFFFAOYSA-N
XLogP3.19
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide (CID 55704486) is N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2nc(-c3cccs3)oc2C)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide?
The InChIKey is WXFGZGJREUCULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-3-24-13-8-6-12(7-9-13)16(22)20-21-17(23)15-11(2)25-18(19-15)14-5-4-10-26-14/h4-10H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide?
N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide has a molecular weight of 371.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide is sourced from PubChem (CID 55704486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).