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

C22H19N3O3 — CID 55668469

IUPACN'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C22H19N3O3/c26-21(13-17-11-6-10-15-7-4-5-12-18(15)17)23-24-22(27)20-14-19(25-28-20)16-8-2-1-3-9-16/h1-12,20H,13-14H2,(H,23,26)(H,24,27)
InChIKeyGRHHTCNFSXECSW-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.72
Rot. Bonds4

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

N'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide (PubChem CID 55668469) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
PubChem CID55668469
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C22H19N3O3/c26-21(13-17-11-6-10-15-7-4-5-12-18(15)17)23-24-22(27)20-14-19(25-28-20)16-8-2-1-3-9-16/h1-12,20H,13-14H2,(H,23,26)(H,24,27)
InChIKeyGRHHTCNFSXECSW-UHFFFAOYSA-N
XLogP2.72
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.72
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

(5S)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216143
(5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216146
(3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2426915
cis-(1R,2S)-2-methyl-N'-(2-naphthalen-1-ylacetyl)cyclopropane-1-carbohydrazide
CID 42386223
(5R)-3-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 129360275
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 78957069
1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979
3-[4-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]phenyl]propanoic acid
CID 99607682
N-(2-methylpropoxy)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115410297
N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 46662435
2-naphthalen-1-yl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 4513399

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide (CID 55668469) is N'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide is O=C(Cc1cccc2ccccc12)NNC(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of N'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
The InChIKey is GRHHTCNFSXECSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-21(13-17-11-6-10-15-7-4-5-12-18(15)17)23-24-22(27)20-14-19(25-28-20)16-8-2-1-3-9-16/h1-12,20H,13-14H2,(H,23,26)(H,24,27).
What are the key properties of N'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
N'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide has a molecular weight of 373.41 g/mol, XLogP of 2.72, 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)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 55668469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).