5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide

C11H10BrN3O3 — CID 63576178

IUPAC5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COc2cccc(Br)c2)on1
InChIInChI=1S/C11H10BrN3O3/c12-7-2-1-3-8(4-7)17-6-9-5-10(15-18-9)11(16)14-13/h1-5H,6,13H2,(H,14,16)
InChIKeyUNKIOEHZSFCPIC-UHFFFAOYSA-N
MW312.12 g/mol
LogP1.62
Rot. Bonds4

About 5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide

5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63576178) has the molecular formula C11H10BrN3O3 and a molecular weight of 312.12 g/mol. Its IUPAC name is 5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63576178
Molecular FormulaC11H10BrN3O3
Molecular Weight312.12 g/mol
Exact Mass310.99
IUPAC Name5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COc2cccc(Br)c2)on1
InChIInChI=1S/C11H10BrN3O3/c12-7-2-1-3-8(4-7)17-6-9-5-10(15-18-9)11(16)14-13/h1-5H,6,13H2,(H,14,16)
InChIKeyUNKIOEHZSFCPIC-UHFFFAOYSA-N
XLogP1.62
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-methylsulfonylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569829
5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine
CID 117216893
6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908833
5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63575726
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370
4-[(3-bromophenoxy)methyl]benzohydrazide
CID 63575146
5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214004
5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577021
N-[[5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62460442
5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 117216896
5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 107661607
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62459720

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide (CID 63576178) is 5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(COc2cccc(Br)c2)on1.
What is the InChIKey of 5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is UNKIOEHZSFCPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3/c12-7-2-1-3-8(4-7)17-6-9-5-10(15-18-9)11(16)14-13/h1-5H,6,13H2,(H,14,16).
What are the key properties of 5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 312.12 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63576178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).