N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide

C19H17N3O4 — CID 39432381

IUPACN'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C19H17N3O4/c1-25-15-9-7-13(8-10-15)11-18(23)20-21-19(24)16-12-17(26-22-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyKWLMPWRMFVMSNO-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.35
Rot. Bonds5

About N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide

N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide (PubChem CID 39432381) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
PubChem CID39432381
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C19H17N3O4/c1-25-15-9-7-13(8-10-15)11-18(23)20-21-19(24)16-12-17(26-22-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyKWLMPWRMFVMSNO-UHFFFAOYSA-N
XLogP2.35
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.35
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

N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 46662435
N-(3,5-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285765
4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 46524587
5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide
CID 17430676
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
N-(4-methoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878325
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
CID 4775508
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619629

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide (CID 39432381) is N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide is COc1ccc(CC(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is KWLMPWRMFVMSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-25-15-9-7-13(8-10-15)11-18(23)20-21-19(24)16-12-17(26-22-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 351.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 39432381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).