5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

C25H20N4O4 — CID 126649181

IUPAC5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)c2cc(Cn3c4ccccc4c4ccccc43)on2)cc1
InChIInChI=1S/C25H20N4O4/c30-24(27-32)17-11-9-16(10-12-17)14-26-25(31)21-13-18(33-28-21)15-29-22-7-3-1-5-19(22)20-6-2-4-8-23(20)29/h1-13,32H,14-15H2,(H,26,31)(H,27,30)
InChIKeyXYUFOHCGCWFZAK-UHFFFAOYSA-N
MW440.46 g/mol
LogP3.88
Rot. Bonds6

About 5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 126649181) has the molecular formula C25H20N4O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is 5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID126649181
Molecular FormulaC25H20N4O4
Molecular Weight440.46 g/mol
Exact Mass440.15
IUPAC Name5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)c2cc(Cn3c4ccccc4c4ccccc43)on2)cc1
InChIInChI=1S/C25H20N4O4/c30-24(27-32)17-11-9-16(10-12-17)14-26-25(31)21-13-18(33-28-21)15-29-22-7-3-1-5-19(22)20-6-2-4-8-23(20)29/h1-13,32H,14-15H2,(H,26,31)(H,27,30)
InChIKeyXYUFOHCGCWFZAK-UHFFFAOYSA-N
XLogP3.88
TPSA109.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 126649181) is 5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is O=C(NO)c1ccc(CNC(=O)c2cc(Cn3c4ccccc4c4ccccc43)on2)cc1.
What is the InChIKey of 5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XYUFOHCGCWFZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4/c30-24(27-32)17-11-9-16(10-12-17)14-26-25(31)21-13-18(33-28-21)15-29-22-7-3-1-5-19(22)20-6-2-4-8-23(20)29/h1-13,32H,14-15H2,(H,26,31)(H,27,30).
What are the key properties of 5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126649181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).