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

C13H14N3O4P — CID 174699071

IUPACoxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole
SMILESC1=CNOC=C1.c1cnoc1.c1cocn1.c1copc1
InChIInChI=1S/C4H5NO.2C3H3NO.C3H3OP/c1-2-4-6-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1/h1-5H;3*1-3H
InChIKeyUUHOKZADINHFCB-UHFFFAOYSA-N
MW307.25 g/mol
LogP3.76
Rot. Bonds

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

oxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole (PubChem CID 174699071) has the molecular formula C13H14N3O4P and a molecular weight of 307.25 g/mol. Its IUPAC name is oxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole.

Molecular Properties

Compound Nameoxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole
PubChem CID174699071
Molecular FormulaC13H14N3O4P
Molecular Weight307.25 g/mol
Exact Mass307.07
IUPAC Nameoxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole
SMILESC1=CNOC=C1.c1cnoc1.c1cocn1.c1copc1
InChIInChI=1S/C4H5NO.2C3H3NO.C3H3OP/c1-2-4-6-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1/h1-5H;3*1-3H
InChIKeyUUHOKZADINHFCB-UHFFFAOYSA-N
XLogP3.76
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of oxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole?
The IUPAC name of oxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole (CID 174699071) is oxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole.
What is the SMILES notation for oxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole?
The canonical SMILES for oxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole is C1=CNOC=C1.c1cnoc1.c1cocn1.c1copc1.
What is the InChIKey of oxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole?
The InChIKey is UUHOKZADINHFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.2C3H3NO.C3H3OP/c1-2-4-6-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1/h1-5H;3*1-3H.
What are the key properties of oxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole?
oxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole has a molecular weight of 307.25 g/mol, XLogP of 3.76, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole is sourced from PubChem (CID 174699071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).