4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide

C16H14FN5O3 — CID 86282455

IUPAC4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide
SMILESCc1noc(N(Cc2ccc(C(=O)NO)cc2)c2ccc(F)cn2)n1
InChIInChI=1S/C16H14FN5O3/c1-10-19-16(25-21-10)22(14-7-6-13(17)8-18-14)9-11-2-4-12(5-3-11)15(23)20-24/h2-8,24H,9H2,1H3,(H,20,23)
InChIKeyYHMSVHVCVQHZRX-UHFFFAOYSA-N
MW343.32 g/mol
LogP2.37
Rot. Bonds5

About 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide

4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide (PubChem CID 86282455) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide
PubChem CID86282455
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC Name4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide
SMILESCc1noc(N(Cc2ccc(C(=O)NO)cc2)c2ccc(F)cn2)n1
InChIInChI=1S/C16H14FN5O3/c1-10-19-16(25-21-10)22(14-7-6-13(17)8-18-14)9-11-2-4-12(5-3-11)15(23)20-24/h2-8,24H,9H2,1H3,(H,20,23)
InChIKeyYHMSVHVCVQHZRX-UHFFFAOYSA-N
XLogP2.37
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide (CID 86282455) is 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide is Cc1noc(N(Cc2ccc(C(=O)NO)cc2)c2ccc(F)cn2)n1.
What is the InChIKey of 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide?
The InChIKey is YHMSVHVCVQHZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3/c1-10-19-16(25-21-10)22(14-7-6-13(17)8-18-14)9-11-2-4-12(5-3-11)15(23)20-24/h2-8,24H,9H2,1H3,(H,20,23).
What are the key properties of 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide?
4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide has a molecular weight of 343.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 86282455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).