N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide

C19H19N3O4 — CID 55863429

IUPACN'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)C2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H19N3O4/c1-2-25-15-10-8-14(9-11-15)18(23)20-21-19(24)16-12-17(26-22-16)13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyYHCYZKMTSNMRTG-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.36
Rot. Bonds5

About N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide

N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide (PubChem CID 55863429) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
PubChem CID55863429
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)C2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H19N3O4/c1-2-25-15-10-8-14(9-11-15)18(23)20-21-19(24)16-12-17(26-22-16)13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyYHCYZKMTSNMRTG-UHFFFAOYSA-N
XLogP2.36
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.36
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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Related Compounds

(5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538958
(5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538881
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate
CID 94463007
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
(5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
CID 95062084
ethyl (5-phenyl-4,5-dihydro-1,2-oxazol-3-yl) carbonate
CID 23064923
5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167930152
4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide
CID 47140397
N'-(4-ethoxybenzoyl)-6-methylpyridine-3-carbohydrazide
CID 18147998
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide (CID 55863429) is N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)C2=NOC(c3ccccc3)C2)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide?
The InChIKey is YHCYZKMTSNMRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-2-25-15-10-8-14(9-11-15)18(23)20-21-19(24)16-12-17(26-22-16)13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide?
N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide has a molecular weight of 353.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 55863429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).