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

C11H18NO6P — CID 71415665

IUPACethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(CP(=O)(OCC)OCC)no1
InChIInChI=1S/C11H18NO6P/c1-4-15-11(13)10-7-9(12-18-10)8-19(14,16-5-2)17-6-3/h7H,4-6,8H2,1-3H3
InChIKeyRKFZSPSIWBCDIG-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.62
Rot. Bonds8

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

ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate (PubChem CID 71415665) has the molecular formula C11H18NO6P and a molecular weight of 291.24 g/mol. Its IUPAC name is ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate
PubChem CID71415665
Molecular FormulaC11H18NO6P
Molecular Weight291.24 g/mol
Exact Mass291.09
IUPAC Nameethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(CP(=O)(OCC)OCC)no1
InChIInChI=1S/C11H18NO6P/c1-4-15-11(13)10-7-9(12-18-10)8-19(14,16-5-2)17-6-3/h7H,4-6,8H2,1-3H3
InChIKeyRKFZSPSIWBCDIG-UHFFFAOYSA-N
XLogP2.62
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.62
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

ethyl 5-(diethoxyphosphorylmethyl)-1-benzofuran-2-carboxylate
CID 58572810
ethyl 4-(chloromethyl)-5-(diethoxyphosphorylmethyl)furan-2-carboxylate
CID 133064995
ethyl 2-(diethoxyphosphorylmethyl)-4-sulfanylbenzoate
CID 54172834
ethyl 4-(diethoxyphosphorylmethyl)-5-methylfuran-3-carboxylate
CID 132993069
ethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate
CID 24976169
4-(diethoxyphosphorylmethyl)-5-methylfuran-2-carboxylic acid
CID 125492347
ethyl 3-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)triazol-1-yl]methyl]-1,2-oxazole-5-carboxylate
CID 167809218
ethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate
CID 67353967
3-ethyl-1,2-oxazole-5-carboxamide
CID 22456645
ethyl 5-(1-diethoxyphosphorylethyl)furan-2-carboxylate
CID 12992035
ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate
CID 42169756
ethyl 4-(chloromethyl)-5-(diethoxyphosphorylmethyl)furan-3-carboxylate
CID 132992974

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate (CID 71415665) is ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate is CCOC(=O)c1cc(CP(=O)(OCC)OCC)no1.
What is the InChIKey of ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate?
The InChIKey is RKFZSPSIWBCDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO6P/c1-4-15-11(13)10-7-9(12-18-10)8-19(14,16-5-2)17-6-3/h7H,4-6,8H2,1-3H3.
What are the key properties of ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate?
ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate has a molecular weight of 291.24 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 71415665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).