2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole

C15H17N7O5 — CID 174496622

IUPAC2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole
SMILESC1=CNOC=C1.C1=CONN=C1.c1cnoc1.c1cocn1.c1conn1
InChIInChI=1S/C4H5NO.C3H4N2O.2C3H3NO.C2H2N2O/c1-2-4-6-5-3-1;1-2-4-5-6-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1/h1-5H;1-3,5H;2*1-3H;1-2H
InChIKeyOMRARUQSMQYIET-UHFFFAOYSA-N
MW375.35 g/mol
LogP1.99
Rot. Bonds

About 2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole

2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole (PubChem CID 174496622) has the molecular formula C15H17N7O5 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole.

Molecular Properties

Compound Name2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole
PubChem CID174496622
Molecular FormulaC15H17N7O5
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole
SMILESC1=CNOC=C1.C1=CONN=C1.c1cnoc1.c1cocn1.c1conn1
InChIInChI=1S/C4H5NO.C3H4N2O.2C3H3NO.C2H2N2O/c1-2-4-6-5-3-1;1-2-4-5-6-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1/h1-5H;1-3,5H;2*1-3H;1-2H
InChIKeyOMRARUQSMQYIET-UHFFFAOYSA-N
XLogP1.99
TPSA145.86 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole?
The IUPAC name of 2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole (CID 174496622) is 2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole.
What is the SMILES notation for 2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole?
The canonical SMILES for 2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole is C1=CNOC=C1.C1=CONN=C1.c1cnoc1.c1cocn1.c1conn1.
What is the InChIKey of 2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole?
The InChIKey is OMRARUQSMQYIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.C3H4N2O.2C3H3NO.C2H2N2O/c1-2-4-6-5-3-1;1-2-4-5-6-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1/h1-5H;1-3,5H;2*1-3H;1-2H.
What are the key properties of 2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole?
2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole has a molecular weight of 375.35 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole is sourced from PubChem (CID 174496622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).