N-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide

C17H15N5O5 — CID 46190609

IUPACN-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
SMILESO=C(NO)c1ccc(CNCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1
InChIInChI=1S/C17H15N5O5/c23-17(20-24)13-3-1-11(2-4-13)9-18-10-15-19-16(21-27-15)12-5-7-14(8-6-12)22(25)26/h1-8,18,24H,9-10H2,(H,20,23)
InChIKeyPRTZUBACELMNIC-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.05
Rot. Bonds7

About N-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide

N-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide (PubChem CID 46190609) has the molecular formula C17H15N5O5 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
PubChem CID46190609
Molecular FormulaC17H15N5O5
Molecular Weight369.34 g/mol
Exact Mass369.11
IUPAC NameN-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
SMILESO=C(NO)c1ccc(CNCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1
InChIInChI=1S/C17H15N5O5/c23-17(20-24)13-3-1-11(2-4-13)9-18-10-15-19-16(21-27-15)12-5-7-14(8-6-12)22(25)26/h1-8,18,24H,9-10H2,(H,20,23)
InChIKeyPRTZUBACELMNIC-UHFFFAOYSA-N
XLogP2.05
TPSA143.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 N-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide (CID 46190609) is N-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide is O=C(NO)c1ccc(CNCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1.
What is the InChIKey of N-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The InChIKey is PRTZUBACELMNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O5/c23-17(20-24)13-3-1-11(2-4-13)9-18-10-15-19-16(21-27-15)12-5-7-14(8-6-12)22(25)26/h1-8,18,24H,9-10H2,(H,20,23).
What are the key properties of N-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
N-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide has a molecular weight of 369.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide is sourced from PubChem (CID 46190609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).