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

C10H11N3O3 — CID 162043043

IUPAC2H-oxazine;1,2-oxazole;1,3-oxazole
SMILESC1=CNOC=C1.c1cnoc1.c1cocn1
InChIInChI=1S/C4H5NO.2C3H3NO/c1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;2*1-3H
InChIKeyYXNMRDAQHPUCET-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.90
Rot. Bonds

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

2H-oxazine;1,2-oxazole;1,3-oxazole (PubChem CID 162043043) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2H-oxazine;1,2-oxazole;1,3-oxazole.

Molecular Properties

Compound Name2H-oxazine;1,2-oxazole;1,3-oxazole
PubChem CID162043043
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2H-oxazine;1,2-oxazole;1,3-oxazole
SMILESC1=CNOC=C1.c1cnoc1.c1cocn1
InChIInChI=1S/C4H5NO.2C3H3NO/c1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;2*1-3H
InChIKeyYXNMRDAQHPUCET-UHFFFAOYSA-N
XLogP1.90
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2H-oxazine;1,2-oxazole;1,3-oxazole?
The IUPAC name of 2H-oxazine;1,2-oxazole;1,3-oxazole (CID 162043043) is 2H-oxazine;1,2-oxazole;1,3-oxazole.
What is the SMILES notation for 2H-oxazine;1,2-oxazole;1,3-oxazole?
The canonical SMILES for 2H-oxazine;1,2-oxazole;1,3-oxazole is C1=CNOC=C1.c1cnoc1.c1cocn1.
What is the InChIKey of 2H-oxazine;1,2-oxazole;1,3-oxazole?
The InChIKey is YXNMRDAQHPUCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.2C3H3NO/c1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;2*1-3H.
What are the key properties of 2H-oxazine;1,2-oxazole;1,3-oxazole?
2H-oxazine;1,2-oxazole;1,3-oxazole has a molecular weight of 221.22 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-oxazine;1,2-oxazole;1,3-oxazole is sourced from PubChem (CID 162043043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).