5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide

C13H14N4O3 — CID 102791283

IUPAC5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cccc3c2OCCN3)n1
InChIInChI=1S/C13H14N4O3/c1-2-14-12(18)11-16-13(20-17-11)8-4-3-5-9-10(8)19-7-6-15-9/h3-5,15H,2,6-7H2,1H3,(H,14,18)
InChIKeySOQPULXCDBDIEF-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.29
Rot. Bonds3

About 5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide

5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791283) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791283
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cccc3c2OCCN3)n1
InChIInChI=1S/C13H14N4O3/c1-2-14-12(18)11-16-13(20-17-11)8-4-3-5-9-10(8)19-7-6-15-9/h3-5,15H,2,6-7H2,1H3,(H,14,18)
InChIKeySOQPULXCDBDIEF-UHFFFAOYSA-N
XLogP1.29
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide with MolForge

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Related Compounds

5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791190
5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 106527913
N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 55065622
5-(4-cyano-1-methylpyrrol-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 106527900
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106276424
8-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 135217965
5-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791111
N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3348278
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114387518
5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791120
1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096087
N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 107436807

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide (CID 102791283) is 5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(-c2cccc3c2OCCN3)n1.
What is the InChIKey of 5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is SOQPULXCDBDIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-14-12(18)11-16-13(20-17-11)8-4-3-5-9-10(8)19-7-6-15-9/h3-5,15H,2,6-7H2,1H3,(H,14,18).
What are the key properties of 5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).