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

C17H13N5O5 — CID 91818686

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCc1nc(-c2cc[nH]c(=O)c2)no1
InChIInChI=1S/C17H13N5O5/c23-13-7-10(5-6-18-13)16-20-15(27-21-16)8-19-14(24)9-22-11-3-1-2-4-12(11)26-17(22)25/h1-7H,8-9H2,(H,18,23)(H,19,24)
InChIKeyYKKKDPUZPAEZLD-UHFFFAOYSA-N
MW367.32 g/mol
LogP0.65
Rot. Bonds5

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

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 91818686) has the molecular formula C17H13N5O5 and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID91818686
Molecular FormulaC17H13N5O5
Molecular Weight367.32 g/mol
Exact Mass367.09
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCc1nc(-c2cc[nH]c(=O)c2)no1
InChIInChI=1S/C17H13N5O5/c23-13-7-10(5-6-18-13)16-20-15(27-21-16)8-19-14(24)9-22-11-3-1-2-4-12(11)26-17(22)25/h1-7H,8-9H2,(H,18,23)(H,19,24)
InChIKeyYKKKDPUZPAEZLD-UHFFFAOYSA-N
XLogP0.65
TPSA136.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 46964298
2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91818678
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131945994
(Z)-3-(2-fluorophenyl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide
CID 91818722
2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 71939768
5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 91818700
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131905602
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
CID 131891106
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
4-chloro-1-ethyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide
CID 91818673
N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122263466
N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115620138

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 91818686) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is O=C(Cn1c(=O)oc2ccccc21)NCc1nc(-c2cc[nH]c(=O)c2)no1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is YKKKDPUZPAEZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O5/c23-13-7-10(5-6-18-13)16-20-15(27-21-16)8-19-14(24)9-22-11-3-1-2-4-12(11)26-17(22)25/h1-7H,8-9H2,(H,18,23)(H,19,24).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 367.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 91818686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).