methyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate

C10H16NO6P — CID 164602395

IUPACmethyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate
SMILESCCOP(=O)(Cc1cnc(C(=O)OC)o1)OCC
InChIInChI=1S/C10H16NO6P/c1-4-15-18(13,16-5-2)7-8-6-11-9(17-8)10(12)14-3/h6H,4-5,7H2,1-3H3
InChIKeyAYIWQQVUCGVTHJ-UHFFFAOYSA-N
MW277.21 g/mol
LogP2.23
Rot. Bonds7

About methyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate

methyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate (PubChem CID 164602395) has the molecular formula C10H16NO6P and a molecular weight of 277.21 g/mol. Its IUPAC name is methyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate
PubChem CID164602395
Molecular FormulaC10H16NO6P
Molecular Weight277.21 g/mol
Exact Mass277.07
IUPAC Namemethyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate
SMILESCCOP(=O)(Cc1cnc(C(=O)OC)o1)OCC
InChIInChI=1S/C10H16NO6P/c1-4-15-18(13,16-5-2)7-8-6-11-9(17-8)10(12)14-3/h6H,4-5,7H2,1-3H3
InChIKeyAYIWQQVUCGVTHJ-UHFFFAOYSA-N
XLogP2.23
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-diethoxyphosphorylacetyl)benzoate
CID 86060714
ethyl 2-(diethoxyphosphorylmethyl)-4-methoxy-7H-thiopyrano[3,4-b]furan-5-carboxylate
CID 146015122
methyl 3-(diethoxyphosphorylmethyl)-2-nitrobenzoate
CID 54332340
N-methoxy-5-methyl-1,3-oxazole-2-carboxamide
CID 126994874
methyl 4-[(2-diethoxyphosphorylacetyl)amino]benzoate
CID 87383699
dimethyl 1,3,4-oxadiazole-2,5-dicarboxylate
CID 14088399
methyl 4-acetamido-3-(diethoxyphosphorylmethyl)benzoate
CID 126482324
methyl 5-amino-7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate
CID 169170687
ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate
CID 71415665
methyl 1-(diethoxyphosphorylmethyl)triazole-4-carboxylate
CID 14966800
methyl 4-(acetyloxymethyl)-5-tert-butyl-3-(diethoxyphosphorylmethyl)furan-2-carboxylate
CID 11350222
methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate
CID 134693338

Frequently Asked Questions

What is the IUPAC name of methyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate?
The IUPAC name of methyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate (CID 164602395) is methyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate.
What is the SMILES notation for methyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate?
The canonical SMILES for methyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate is CCOP(=O)(Cc1cnc(C(=O)OC)o1)OCC.
What is the InChIKey of methyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate?
The InChIKey is AYIWQQVUCGVTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO6P/c1-4-15-18(13,16-5-2)7-8-6-11-9(17-8)10(12)14-3/h6H,4-5,7H2,1-3H3.
What are the key properties of methyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate?
methyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate has a molecular weight of 277.21 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(diethoxyphosphorylmethyl)-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 164602395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).