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

C20H19N3O4 — CID 17430676

IUPAC5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C20H19N3O4/c1-2-12-26-16-10-8-15(9-11-16)19(24)21-22-20(25)17-13-18(27-23-17)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyDQEPVPHVGRITKM-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.21
Rot. Bonds6

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

5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 17430676) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide
PubChem CID17430676
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C20H19N3O4/c1-2-12-26-16-10-8-15(9-11-16)19(24)21-22-20(25)17-13-18(27-23-17)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyDQEPVPHVGRITKM-UHFFFAOYSA-N
XLogP3.21
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.21
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

5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
N-[[(4-phenylbenzoyl)amino]carbamothioyl]-4-propoxybenzamide
CID 4939052
N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 51310436
N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 39432381
N'-(2-phenylacetyl)-4-propoxybenzohydrazide
CID 4938615
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 46524587
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide
CID 39429005
N'-[4-(2-ethoxyethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17112731
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide (CID 17430676) is 5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is DQEPVPHVGRITKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-12-26-16-10-8-15(9-11-16)19(24)21-22-20(25)17-13-18(27-23-17)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide?
5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 365.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 17430676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).