2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

C18H20N4O5 — CID 135118136

IUPAC2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCc1ccc2c(c1)N(CC(=O)NCc1noc(C3CCCO3)n1)C(=O)CO2
InChIInChI=1S/C18H20N4O5/c1-11-4-5-13-12(7-11)22(17(24)10-26-13)9-16(23)19-8-15-20-18(27-21-15)14-3-2-6-25-14/h4-5,7,14H,2-3,6,8-10H2,1H3,(H,19,23)
InChIKeyZVJWIRINYWLQCX-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.27
Rot. Bonds5

About 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (PubChem CID 135118136) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
PubChem CID135118136
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCc1ccc2c(c1)N(CC(=O)NCc1noc(C3CCCO3)n1)C(=O)CO2
InChIInChI=1S/C18H20N4O5/c1-11-4-5-13-12(7-11)22(17(24)10-26-13)9-16(23)19-8-15-20-18(27-21-15)14-3-2-6-25-14/h4-5,7,14H,2-3,6,8-10H2,1H3,(H,19,23)
InChIKeyZVJWIRINYWLQCX-UHFFFAOYSA-N
XLogP1.27
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 6544541
3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 135099312
3,6-dimethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 97121047
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 72904628
N-[2-(azepan-1-ium-1-yl)ethyl]-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3600725
1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
CID 126443305
7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one
CID 97189786
methyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 3154550
2-(5-acetylthiophen-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 118769200
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 97110290
1-butyl-1-[(5-methylthiophen-2-yl)methyl]-3-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 122556631
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The IUPAC name of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (CID 135118136) is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is Cc1ccc2c(c1)N(CC(=O)NCc1noc(C3CCCO3)n1)C(=O)CO2.
What is the InChIKey of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The InChIKey is ZVJWIRINYWLQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-11-4-5-13-12(7-11)22(17(24)10-26-13)9-16(23)19-8-15-20-18(27-21-15)14-3-2-6-25-14/h4-5,7,14H,2-3,6,8-10H2,1H3,(H,19,23).
What are the key properties of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide has a molecular weight of 372.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is sourced from PubChem (CID 135118136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).