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

C13H9ClN6O3 — CID 56678631

IUPAC2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2nnc(-c3cccc(Cl)c3)o2)nc1
InChIInChI=1S/C13H9ClN6O3/c14-9-3-1-2-7(4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19)
InChIKeyUINFPRVMOHNRFK-UHFFFAOYSA-N
MW332.71 g/mol
LogP2.04
Rot. Bonds4

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

2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 56678631) has the molecular formula C13H9ClN6O3 and a molecular weight of 332.71 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID56678631
Molecular FormulaC13H9ClN6O3
Molecular Weight332.71 g/mol
Exact Mass332.04
IUPAC Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2nnc(-c3cccc(Cl)c3)o2)nc1
InChIInChI=1S/C13H9ClN6O3/c14-9-3-1-2-7(4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19)
InChIKeyUINFPRVMOHNRFK-UHFFFAOYSA-N
XLogP2.04
TPSA126.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.71
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

3-chloro-N-[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4226990
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pyridinecarboxamide
CID 1246952
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-(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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 56678631) is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(Nc2nnc(-c3cccc(Cl)c3)o2)nc1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is UINFPRVMOHNRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN6O3/c14-9-3-1-2-7(4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19).
What are the key properties of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 332.71 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 56678631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).