5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide

C18H17N3O4 — CID 54846502

IUPAC5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccccc2OCCOc2ccccc2)on1
InChIInChI=1S/C18H17N3O4/c19-20-18(22)15-12-17(25-21-15)14-8-4-5-9-16(14)24-11-10-23-13-6-2-1-3-7-13/h1-9,12H,10-11,19H2,(H,20,22)
InChIKeyZAXDCAXDAJIVLD-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.40
Rot. Bonds7

About 5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide

5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 54846502) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide
PubChem CID54846502
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccccc2OCCOc2ccccc2)on1
InChIInChI=1S/C18H17N3O4/c19-20-18(22)15-12-17(25-21-15)14-8-4-5-9-16(14)24-11-10-23-13-6-2-1-3-7-13/h1-9,12H,10-11,19H2,(H,20,22)
InChIKeyZAXDCAXDAJIVLD-UHFFFAOYSA-N
XLogP2.40
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine
CID 54846749
N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide
CID 71769178
5-chloro-2-(2-phenoxyethoxy)benzohydrazide
CID 54795635
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide
CID 54851651
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate
CID 176654089
4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 28857922
5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577021
5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 46417646
5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide
CID 17430676
1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide
CID 63574383

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide (CID 54846502) is 5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(-c2ccccc2OCCOc2ccccc2)on1.
What is the InChIKey of 5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is ZAXDCAXDAJIVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c19-20-18(22)15-12-17(25-21-15)14-8-4-5-9-16(14)24-11-10-23-13-6-2-1-3-7-13/h1-9,12H,10-11,19H2,(H,20,22).
What are the key properties of 5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide?
5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 339.35 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 54846502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).