2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide

C13H11N7O3 — CID 56681958

IUPAC2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESNc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)o2)cc1
InChIInChI=1S/C13H11N7O3/c14-9-3-1-7(2-4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,14H2,(H,20,21)(H,15,16,17,19)
InChIKeyULVBBCWVFBZNFW-UHFFFAOYSA-N
MW313.28 g/mol
LogP0.97
Rot. Bonds4

About 2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 56681958) has the molecular formula C13H11N7O3 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID56681958
Molecular FormulaC13H11N7O3
Molecular Weight313.28 g/mol
Exact Mass313.09
IUPAC Name2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESNc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)o2)cc1
InChIInChI=1S/C13H11N7O3/c14-9-3-1-7(2-4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,14H2,(H,20,21)(H,15,16,17,19)
InChIKeyULVBBCWVFBZNFW-UHFFFAOYSA-N
XLogP0.97
TPSA152.08 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1,3,4-Oxadiazol-2-amine, N-phenyl-5-(3-pyridinyl)-
CID 3041662
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
N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
CID 56668409
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
1-Phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea
CID 155547749
5-(2-nitrophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
CID 162645824
5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
CID 162655911

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 56681958) is 2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide is Nc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)o2)cc1.
What is the InChIKey of 2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is ULVBBCWVFBZNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O3/c14-9-3-1-7(2-4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,14H2,(H,20,21)(H,15,16,17,19).
What are the key properties of 2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 56681958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).