benzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate

C18H15NO4 — CID 164579891

IUPACbenzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate
SMILESO=C(OCc1ccccc1)c1cn(Cc2ccccc2)c(=O)o1
InChIInChI=1S/C18H15NO4/c20-17(22-13-15-9-5-2-6-10-15)16-12-19(18(21)23-16)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2
InChIKeyDTGFFVOLDRWQEB-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.85
Rot. Bonds5

About benzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate

benzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate (PubChem CID 164579891) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is benzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namebenzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate
PubChem CID164579891
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namebenzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate
SMILESO=C(OCc1ccccc1)c1cn(Cc2ccccc2)c(=O)o1
InChIInChI=1S/C18H15NO4/c20-17(22-13-15-9-5-2-6-10-15)16-12-19(18(21)23-16)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2
InChIKeyDTGFFVOLDRWQEB-UHFFFAOYSA-N
XLogP2.85
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-benzyl-2-oxo-1,3-oxazol-5-yl)methyl acetate
CID 134963748
benzyl benzoate
CID 2345
benzyl carbonochloridate
CID 10387
benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 140929543
1-O-benzyl 2-O-(2,2,2-trichloroethyl) oxalate
CID 68795649
benzyl 6-methyl-2-oxopyran-3-carboxylate
CID 53355201
benzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate
CID 14342201
benzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate
CID 118027015
benzyl 2-oxo-1,3-benzoxazole-3-carboxylate
CID 56688108
dibenzyl 1-methylimidazole-2,4-dicarboxylate
CID 139429649
CID 174906307
CID 174906307
benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 17454076

Frequently Asked Questions

What is the IUPAC name of benzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate?
The IUPAC name of benzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate (CID 164579891) is benzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate.
What is the SMILES notation for benzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate?
The canonical SMILES for benzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate is O=C(OCc1ccccc1)c1cn(Cc2ccccc2)c(=O)o1.
What is the InChIKey of benzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate?
The InChIKey is DTGFFVOLDRWQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-17(22-13-15-9-5-2-6-10-15)16-12-19(18(21)23-16)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2.
What are the key properties of benzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate?
benzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 164579891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).