2-phosphoroso-1,3-oxazole

C3H2NO2P — CID 174296677

IUPAC2-phosphoroso-1,3-oxazole
SMILESO=Pc1ncco1
InChIInChI=1S/C3H2NO2P/c5-7-3-4-1-2-6-3/h1-2H
InChIKeyNMCVXTHGIABITA-UHFFFAOYSA-N
MW115.03 g/mol
LogP0.59
Rot. Bonds1

About 2-phosphoroso-1,3-oxazole

2-phosphoroso-1,3-oxazole (PubChem CID 174296677) has the molecular formula C3H2NO2P and a molecular weight of 115.03 g/mol. Its IUPAC name is 2-phosphoroso-1,3-oxazole.

Molecular Properties

Compound Name2-phosphoroso-1,3-oxazole
PubChem CID174296677
Molecular FormulaC3H2NO2P
Molecular Weight115.03 g/mol
Exact Mass114.98
IUPAC Name2-phosphoroso-1,3-oxazole
SMILESO=Pc1ncco1
InChIInChI=1S/C3H2NO2P/c5-7-3-4-1-2-6-3/h1-2H
InChIKeyNMCVXTHGIABITA-UHFFFAOYSA-N
XLogP0.59
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.03
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole
CID 90278010
1,3-oxazole-2-sulfonamide
CID 54424983
carbon dioxide;2-ethynyl-1,3-oxazole
CID 159343815
N-(1,3-oxazol-2-ylmethyl)acetamide
CID 89078638
trimethyl(1,3-oxazol-2-yl)-λ4-sulfane
CID 90872919
2-methyliodanuidyl-1,3-oxazole
CID 147833148
2-(dideuteriomethyl)-1,3-oxazole
CID 167525558
2-(dichloromethyl)-1,3-oxazole
CID 53407610
2-(difluoromethyl)-1,3-oxazole
CID 142510645
benzene;1,3-oxazole-2-sulfonic acid
CID 175144268
(E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide
CID 14321974
ethane;2-propan-2-yl-1,3-oxazole
CID 143094389

Frequently Asked Questions

What is the IUPAC name of 2-phosphoroso-1,3-oxazole?
The IUPAC name of 2-phosphoroso-1,3-oxazole (CID 174296677) is 2-phosphoroso-1,3-oxazole.
What is the SMILES notation for 2-phosphoroso-1,3-oxazole?
The canonical SMILES for 2-phosphoroso-1,3-oxazole is O=Pc1ncco1.
What is the InChIKey of 2-phosphoroso-1,3-oxazole?
The InChIKey is NMCVXTHGIABITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2NO2P/c5-7-3-4-1-2-6-3/h1-2H.
What are the key properties of 2-phosphoroso-1,3-oxazole?
2-phosphoroso-1,3-oxazole has a molecular weight of 115.03 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphoroso-1,3-oxazole is sourced from PubChem (CID 174296677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).