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

C13H15N3O4P+ — CID 158432891

IUPACoxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole
SMILESC1=CNOC=C1.c1cnoc1.c1co[pH+]c1.c1cocn1
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/p+1
InChIKeyUUHOKZADINHFCB-UHFFFAOYSA-O
MW308.25 g/mol
LogP3.49
Rot. Bonds

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

oxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole (PubChem CID 158432891) has the molecular formula C13H15N3O4P+ and a molecular weight of 308.25 g/mol. Its IUPAC name is oxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole.

Molecular Properties

Compound Nameoxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole
PubChem CID158432891
Molecular FormulaC13H15N3O4P+
Molecular Weight308.25 g/mol
Exact Mass308.08
IUPAC Nameoxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole
SMILESC1=CNOC=C1.c1cnoc1.c1co[pH+]c1.c1cocn1
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/p+1
InChIKeyUUHOKZADINHFCB-UHFFFAOYSA-O
XLogP3.49
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 22623272
1,3-Dioxolane;1,2-oxazole;1,3-oxazole
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4,5-Dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole;1,3-oxazolidine
CID 160296850
Oxadiazole;1,2-oxazole;1,3-oxazole
CID 161678041
2H-oxazine;1,2-oxazole;1,3-oxazole
CID 162043043
2H-oxadiazine;oxadiazole;2H-oxazine;1,2-oxazole;1,3-oxazole
CID 174496622
4,5-Dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole
CID 174640273
1,2-Oxazole;1,3-oxazole;pyrrolidine
CID 174653140
oxaphosphole;2H-oxazine;1,2-oxazole;1,3-oxazole
CID 174699071
1,2-Oxazole;1,3-oxazole;sulfane
CID 174951280
Formamide;1,2-oxazole;1,3-oxazole
CID 175012855
1,2-Oxazol-2-ium;1,3-oxazol-3-ium
CID 19992459

Frequently Asked Questions

What is the IUPAC name of oxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole?
The IUPAC name of oxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole (CID 158432891) is oxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole.
What is the SMILES notation for oxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole?
The canonical SMILES for oxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole is C1=CNOC=C1.c1cnoc1.c1co[pH+]c1.c1cocn1.
What is the InChIKey of oxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole?
The InChIKey is UUHOKZADINHFCB-UHFFFAOYSA-O. 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/p+1.
What are the key properties of oxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole?
oxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole has a molecular weight of 308.25 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole is sourced from PubChem (CID 158432891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).