N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide

C13H9N7O5 — CID 56668409

IUPACN-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc1
InChIInChI=1S/C13H9N7O5/c21-10(19-22)8-5-14-12(15-6-8)16-13-18-17-11(25-13)7-1-3-9(4-2-7)20(23)24/h1-6,22H,(H,19,21)(H,14,15,16,18)
InChIKeyFIWLGYXCRGEOBM-UHFFFAOYSA-N
MW343.26 g/mol
LogP1.30
Rot. Bonds5

About N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide

N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide (PubChem CID 56668409) has the molecular formula C13H9N7O5 and a molecular weight of 343.26 g/mol. Its IUPAC name is N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
PubChem CID56668409
Molecular FormulaC13H9N7O5
Molecular Weight343.26 g/mol
Exact Mass343.07
IUPAC NameN-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc1
InChIInChI=1S/C13H9N7O5/c21-10(19-22)8-5-14-12(15-6-8)16-13-18-17-11(25-13)7-1-3-9(4-2-7)20(23)24/h1-6,22H,(H,19,21)(H,14,15,16,18)
InChIKeyFIWLGYXCRGEOBM-UHFFFAOYSA-N
XLogP1.30
TPSA169.20 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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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Related Compounds

2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2-pyridinyl)acetamide
CID 1259978
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56658047
2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56664976
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56671918
N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
CID 56671919
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56671920
N-hydroxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrimidine-5-carboxamide
CID 56675295
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56678631
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56681958
2-(4-Nitrophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162654477
3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3708944
5-(2-nitrophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
CID 162645824

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide (CID 56668409) is N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide is O=C(NO)c1cnc(Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc1.
What is the InChIKey of N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is FIWLGYXCRGEOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N7O5/c21-10(19-22)8-5-14-12(15-6-8)16-13-18-17-11(25-13)7-1-3-9(4-2-7)20(23)24/h1-6,22H,(H,19,21)(H,14,15,16,18).
What are the key properties of N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 343.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 56668409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).