N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide

C16H14N4O2 — CID 16680997

IUPACN-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2noc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H14N4O2/c1-11(21)18-14-6-4-12(5-7-14)9-15-19-16(22-20-15)13-3-2-8-17-10-13/h2-8,10H,9H2,1H3,(H,18,21)
InChIKeyYMABVVWZKRTRRN-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.68
Rot. Bonds4

About N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide

N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide (PubChem CID 16680997) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
PubChem CID16680997
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2noc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H14N4O2/c1-11(21)18-14-6-4-12(5-7-14)9-15-19-16(22-20-15)13-3-2-8-17-10-13/h2-8,10H,9H2,1H3,(H,18,21)
InChIKeyYMABVVWZKRTRRN-UHFFFAOYSA-N
XLogP2.68
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 110169330
N-(3,5-dichlorophenyl)-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)acetamide
CID 27211727
3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 91917678
1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea
CID 146461156
N-hydroxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 135358206
2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749070
N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 19023034
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845758
5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 28809507
2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-ethylphenyl)acetamide
CID 46266683
2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91816099

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide (CID 16680997) is N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cc2noc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?
The InChIKey is YMABVVWZKRTRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11(21)18-14-6-4-12(5-7-14)9-15-19-16(22-20-15)13-3-2-8-17-10-13/h2-8,10H,9H2,1H3,(H,18,21).
What are the key properties of N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?
N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide has a molecular weight of 294.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 16680997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).