N'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide

C15H16BrN3O4 — CID 24819737

IUPACN'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCc1noc(C)c1C(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O4/c1-3-12-14(9(2)23-19-12)15(21)18-17-13(20)8-22-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyYKULEDRRYCHHOL-UHFFFAOYSA-N
MW382.21 g/mol
LogP2.15
Rot. Bonds5

About N'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide

N'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide (PubChem CID 24819737) has the molecular formula C15H16BrN3O4 and a molecular weight of 382.21 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
PubChem CID24819737
Molecular FormulaC15H16BrN3O4
Molecular Weight382.21 g/mol
Exact Mass381.03
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCc1noc(C)c1C(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O4/c1-3-12-14(9(2)23-19-12)15(21)18-17-13(20)8-22-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyYKULEDRRYCHHOL-UHFFFAOYSA-N
XLogP2.15
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide (CID 24819737) is N'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide is CCc1noc(C)c1C(=O)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is YKULEDRRYCHHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O4/c1-3-12-14(9(2)23-19-12)15(21)18-17-13(20)8-22-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
N'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 382.21 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 24819737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).