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

C13H10N6O4 — CID 135981704

IUPACN-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2nnc(-c3ccc(O)cc3)o2)nc1
InChIInChI=1S/C13H10N6O4/c20-9-3-1-7(2-4-9)11-17-18-13(23-11)16-12-14-5-8(6-15-12)10(21)19-22/h1-6,20,22H,(H,19,21)(H,14,15,16,18)
InChIKeyILMDRDUBEVDKNE-UHFFFAOYSA-N
MW314.26 g/mol
LogP1.09
Rot. Bonds4

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

N-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide (PubChem CID 135981704) has the molecular formula C13H10N6O4 and a molecular weight of 314.26 g/mol. Its IUPAC name is N-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
PubChem CID135981704
Molecular FormulaC13H10N6O4
Molecular Weight314.26 g/mol
Exact Mass314.08
IUPAC NameN-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2nnc(-c3ccc(O)cc3)o2)nc1
InChIInChI=1S/C13H10N6O4/c20-9-3-1-7(2-4-9)11-17-18-13(23-11)16-12-14-5-8(6-15-12)10(21)19-22/h1-6,20,22H,(H,19,21)(H,14,15,16,18)
InChIKeyILMDRDUBEVDKNE-UHFFFAOYSA-N
XLogP1.09
TPSA146.29 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 51.09
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide (CID 135981704) is N-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide is O=C(NO)c1cnc(Nc2nnc(-c3ccc(O)cc3)o2)nc1.
What is the InChIKey of N-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is ILMDRDUBEVDKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O4/c20-9-3-1-7(2-4-9)11-17-18-13(23-11)16-12-14-5-8(6-15-12)10(21)19-22/h1-6,20,22H,(H,19,21)(H,14,15,16,18).
What are the key properties of N-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 314.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 135981704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).