N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide

C16H14N4O4 — CID 135429428

IUPACN-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide
SMILESCOc1ccc(O)c(-c2nc(-c3ccc(NC(C)=O)cn3)no2)c1
InChIInChI=1S/C16H14N4O4/c1-9(21)18-10-3-5-13(17-8-10)15-19-16(24-20-15)12-7-11(23-2)4-6-14(12)22/h3-8,22H,1-2H3,(H,18,21)
InChIKeyXVNMAUMHUNZTDX-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.47
Rot. Bonds4

About N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide

N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide (PubChem CID 135429428) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide
PubChem CID135429428
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC NameN-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide
SMILESCOc1ccc(O)c(-c2nc(-c3ccc(NC(C)=O)cn3)no2)c1
InChIInChI=1S/C16H14N4O4/c1-9(21)18-10-3-5-13(17-8-10)15-19-16(24-20-15)12-7-11(23-2)4-6-14(12)22/h3-8,22H,1-2H3,(H,18,21)
InChIKeyXVNMAUMHUNZTDX-UHFFFAOYSA-N
XLogP2.47
TPSA110.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate
CID 135429409
N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide;4-methoxy-2-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]phenol
CID 173245624
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904028
N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3742791
N-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetamide
CID 17427274
4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885977
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
N-[4-[(Z)-2-chloro-2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide
CID 9041369
3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330865
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79735633
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide (CID 135429428) is N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide is COc1ccc(O)c(-c2nc(-c3ccc(NC(C)=O)cn3)no2)c1.
What is the InChIKey of N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide?
The InChIKey is XVNMAUMHUNZTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-9(21)18-10-3-5-13(17-8-10)15-19-16(24-20-15)12-7-11(23-2)4-6-14(12)22/h3-8,22H,1-2H3,(H,18,21).
What are the key properties of N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide?
N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide has a molecular weight of 326.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 135429428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).