N-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide

C16H22N4O3 — CID 21078830

IUPACN-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide
SMILESCCCCCC(CN(O)C=O)c1nnc(Cc2ccccn2)o1
InChIInChI=1S/C16H22N4O3/c1-2-3-4-7-13(11-20(22)12-21)16-19-18-15(23-16)10-14-8-5-6-9-17-14/h5-6,8-9,12-13,22H,2-4,7,10-11H2,1H3
InChIKeyGXKFNWLCCVIMEE-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.57
Rot. Bonds10

About N-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide

N-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide (PubChem CID 21078830) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide
PubChem CID21078830
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide
SMILESCCCCCC(CN(O)C=O)c1nnc(Cc2ccccn2)o1
InChIInChI=1S/C16H22N4O3/c1-2-3-4-7-13(11-20(22)12-21)16-19-18-15(23-16)10-14-8-5-6-9-17-14/h5-6,8-9,12-13,22H,2-4,7,10-11H2,1H3
InChIKeyGXKFNWLCCVIMEE-UHFFFAOYSA-N
XLogP2.57
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide
CID 11245694
N-hydroxy-N-[(2S)-2-[5-[[3-(trifluoromethyl)anilino]methyl]-1,3,4-oxadiazol-2-yl]heptyl]formamide
CID 87069652
N-[2-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide
CID 11163828
N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide
CID 86603578
N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
CID 90807716
N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide
CID 87069632
N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789
N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide
CID 21078846
N-[2-[5-[cyclohexa-1,3-dien-1-ylmethyl(1,4-dioxin-2-yl)amino]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide
CID 91183165
2-(2-chlorononyl)pyridine
CID 66459167
1-pyridin-2-yldecan-2-one
CID 62622628
2-(pyridin-2-ylmethyl)heptanenitrile
CID 67860506

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide (CID 21078830) is N-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide is CCCCCC(CN(O)C=O)c1nnc(Cc2ccccn2)o1.
What is the InChIKey of N-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide?
The InChIKey is GXKFNWLCCVIMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-2-3-4-7-13(11-20(22)12-21)16-19-18-15(23-16)10-14-8-5-6-9-17-14/h5-6,8-9,12-13,22H,2-4,7,10-11H2,1H3.
What are the key properties of N-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide?
N-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide has a molecular weight of 318.38 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide is sourced from PubChem (CID 21078830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).