N-phenyl-2H-oxadiazine-4-carboxamide

C10H9N3O2 — CID 23223803

IUPACN-phenyl-2H-oxadiazine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1=NNOC=C1
InChIInChI=1S/C10H9N3O2/c14-10(9-6-7-15-13-12-9)11-8-4-2-1-3-5-8/h1-7,13H,(H,11,14)
InChIKeyLKHFSBPQVCSCHJ-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.03
Rot. Bonds2

About N-phenyl-2H-oxadiazine-4-carboxamide

N-phenyl-2H-oxadiazine-4-carboxamide (PubChem CID 23223803) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is N-phenyl-2H-oxadiazine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-2H-oxadiazine-4-carboxamide
PubChem CID23223803
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC NameN-phenyl-2H-oxadiazine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1=NNOC=C1
InChIInChI=1S/C10H9N3O2/c14-10(9-6-7-15-13-12-9)11-8-4-2-1-3-5-8/h1-7,13H,(H,11,14)
InChIKeyLKHFSBPQVCSCHJ-UHFFFAOYSA-N
XLogP1.03
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2H-oxadiazine-4-carboxamide?
The IUPAC name of N-phenyl-2H-oxadiazine-4-carboxamide (CID 23223803) is N-phenyl-2H-oxadiazine-4-carboxamide.
What is the SMILES notation for N-phenyl-2H-oxadiazine-4-carboxamide?
The canonical SMILES for N-phenyl-2H-oxadiazine-4-carboxamide is O=C(Nc1ccccc1)C1=NNOC=C1.
What is the InChIKey of N-phenyl-2H-oxadiazine-4-carboxamide?
The InChIKey is LKHFSBPQVCSCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-10(9-6-7-15-13-12-9)11-8-4-2-1-3-5-8/h1-7,13H,(H,11,14).
What are the key properties of N-phenyl-2H-oxadiazine-4-carboxamide?
N-phenyl-2H-oxadiazine-4-carboxamide has a molecular weight of 203.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2H-oxadiazine-4-carboxamide is sourced from PubChem (CID 23223803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).