N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide

C22H17N3O3 — CID 46662435

IUPACN'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C22H17N3O3/c26-21(13-17-11-6-10-15-7-4-5-12-18(15)17)23-24-22(27)19-14-20(28-25-19)16-8-2-1-3-9-16/h1-12,14H,13H2,(H,23,26)(H,24,27)
InChIKeyDWVUPCNRZXKYFN-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.50
Rot. Bonds4

About N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide

N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide (PubChem CID 46662435) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
PubChem CID46662435
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C22H17N3O3/c26-21(13-17-11-6-10-15-7-4-5-12-18(15)17)23-24-22(27)19-14-20(28-25-19)16-8-2-1-3-9-16/h1-12,14H,13H2,(H,23,26)(H,24,27)
InChIKeyDWVUPCNRZXKYFN-UHFFFAOYSA-N
XLogP3.50
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 39432381
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-1-ylacetamide
CID 16866680
N'-(2-naphthalen-1-ylacetyl)pyrazine-2-carbohydrazide
CID 24638040
N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 35953866
N'-(2-naphthalen-1-ylacetyl)pyridine-4-carbohydrazide
CID 4807892
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 42386156
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
2-naphthalen-1-yl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 4513399
5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
CID 4775508
N-(3-hydroxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093722
N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619586

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide (CID 46662435) is N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide is O=C(Cc1cccc2ccccc12)NNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is DWVUPCNRZXKYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-21(13-17-11-6-10-15-7-4-5-12-18(15)17)23-24-22(27)19-14-20(28-25-19)16-8-2-1-3-9-16/h1-12,14H,13H2,(H,23,26)(H,24,27).
What are the key properties of N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide?
N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 371.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 46662435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).