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

C15H15N7O3 — CID 56664976

IUPAC2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESCN(C)c1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)o2)cc1
InChIInChI=1S/C15H15N7O3/c1-22(2)11-5-3-9(4-6-11)13-19-20-15(25-13)18-14-16-7-10(8-17-14)12(23)21-24/h3-8,24H,1-2H3,(H,21,23)(H,16,17,18,20)
InChIKeyILNFOPHYUVTTRQ-UHFFFAOYSA-N
MW341.33 g/mol
LogP1.46
Rot. Bonds5

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

2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 56664976) has the molecular formula C15H15N7O3 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID56664976
Molecular FormulaC15H15N7O3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC Name2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESCN(C)c1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)o2)cc1
InChIInChI=1S/C15H15N7O3/c1-22(2)11-5-3-9(4-6-11)13-19-20-15(25-13)18-14-16-7-10(8-17-14)12(23)21-24/h3-8,24H,1-2H3,(H,21,23)(H,16,17,18,20)
InChIKeyILNFOPHYUVTTRQ-UHFFFAOYSA-N
XLogP1.46
TPSA129.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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Related Compounds

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56658047
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
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56681958
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
5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
CID 162660257
5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
CID 162676385

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 56664976) is 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide is CN(C)c1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)o2)cc1.
What is the InChIKey of 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is ILNFOPHYUVTTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O3/c1-22(2)11-5-3-9(4-6-11)13-19-20-15(25-13)18-14-16-7-10(8-17-14)12(23)21-24/h3-8,24H,1-2H3,(H,21,23)(H,16,17,18,20).
What are the key properties of 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 56664976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).