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

C17H15N3O4S — CID 51310436

IUPACN'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C17H15N3O4S/c1-2-23-12-7-5-11(6-8-12)16(21)18-19-17(22)13-10-14(24-20-13)15-4-3-9-25-15/h3-10H,2H2,1H3,(H,18,21)(H,19,22)
InChIKeyVHUPFHZHYGONMQ-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.88
Rot. Bonds5

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

N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide (PubChem CID 51310436) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
PubChem CID51310436
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C17H15N3O4S/c1-2-23-12-7-5-11(6-8-12)16(21)18-19-17(22)13-10-14(24-20-13)15-4-3-9-25-15/h3-10H,2H2,1H3,(H,18,21)(H,19,22)
InChIKeyVHUPFHZHYGONMQ-UHFFFAOYSA-N
XLogP2.88
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.88
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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Related Compounds

N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
CID 55704486
5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide
CID 17430676
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 17013196
N-(4-ethoxyphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879514
2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide
CID 26738509
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122304519
N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 134050746
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 55494664
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 43356462
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55896365

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide (CID 51310436) is N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cc(-c3cccs3)on2)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide?
The InChIKey is VHUPFHZHYGONMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-2-23-12-7-5-11(6-8-12)16(21)18-19-17(22)13-10-14(24-20-13)15-4-3-9-25-15/h3-10H,2H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide?
N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide has a molecular weight of 357.39 g/mol, XLogP of 2.88, 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-thiophen-2-yl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 51310436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).