5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide

C17H20BrN3O4 — CID 165412800

IUPAC5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide
SMILESO=C(CCCCCCNC(=O)c1ncc(-c2ccc(Br)cc2)o1)NO
InChIInChI=1S/C17H20BrN3O4/c18-13-8-6-12(7-9-13)14-11-20-17(25-14)16(23)19-10-4-2-1-3-5-15(22)21-24/h6-9,11,24H,1-5,10H2,(H,19,23)(H,21,22)
InChIKeyYNWLMVWHXKRQRH-UHFFFAOYSA-N
MW410.27 g/mol
LogP3.29
Rot. Bonds9

About 5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide

5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide (PubChem CID 165412800) has the molecular formula C17H20BrN3O4 and a molecular weight of 410.27 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide
PubChem CID165412800
Molecular FormulaC17H20BrN3O4
Molecular Weight410.27 g/mol
Exact Mass409.06
IUPAC Name5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide
SMILESO=C(CCCCCCNC(=O)c1ncc(-c2ccc(Br)cc2)o1)NO
InChIInChI=1S/C17H20BrN3O4/c18-13-8-6-12(7-9-13)14-11-20-17(25-14)16(23)19-10-4-2-1-3-5-15(22)21-24/h6-9,11,24H,1-5,10H2,(H,19,23)(H,21,22)
InChIKeyYNWLMVWHXKRQRH-UHFFFAOYSA-N
XLogP3.29
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide
CID 126478002
N-hydroxy-6-[[2-(4-phenylphenyl)acetyl]amino]hexanamide
CID 42599942
4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 10133172
2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 166627873
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 100510051
4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid
CID 110835178
5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119235078
7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid
CID 24702414
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
3-[5-(4-bromophenyl)-1,3-oxazol-2-yl]propanoyl fluoride
CID 162401622
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729811
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide (CID 165412800) is 5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide is O=C(CCCCCCNC(=O)c1ncc(-c2ccc(Br)cc2)o1)NO.
What is the InChIKey of 5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide?
The InChIKey is YNWLMVWHXKRQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O4/c18-13-8-6-12(7-9-13)14-11-20-17(25-14)16(23)19-10-4-2-1-3-5-15(22)21-24/h6-9,11,24H,1-5,10H2,(H,19,23)(H,21,22).
What are the key properties of 5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide?
5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide has a molecular weight of 410.27 g/mol, XLogP of 3.29, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 165412800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).