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

C14H12N6O4 — CID 56671921

IUPACN-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)o2)cc1
InChIInChI=1S/C14H12N6O4/c1-23-10-4-2-8(3-5-10)12-18-19-14(24-12)17-13-15-6-9(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19)
InChIKeyKSWSXPJFQWOAFN-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.40
Rot. Bonds5

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

N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide (PubChem CID 56671921) has the molecular formula C14H12N6O4 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
PubChem CID56671921
Molecular FormulaC14H12N6O4
Molecular Weight328.29 g/mol
Exact Mass328.09
IUPAC NameN-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)o2)cc1
InChIInChI=1S/C14H12N6O4/c1-23-10-4-2-8(3-5-10)12-18-19-14(24-12)17-13-15-6-9(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19)
InChIKeyKSWSXPJFQWOAFN-UHFFFAOYSA-N
XLogP1.40
TPSA135.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide (CID 56671921) is N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide is COc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)o2)cc1.
What is the InChIKey of N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is KSWSXPJFQWOAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O4/c1-23-10-4-2-8(3-5-10)12-18-19-14(24-12)17-13-15-6-9(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19).
What are the key properties of N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 328.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 56671921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).