(2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

C16H16N2O5 — CID 7660698

IUPAC(2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C16H16N2O5/c1-3-12-14(10(2)23-18-12)16(21)22-9-13(19)17-15(20)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,19,20)
InChIKeyXYBOXKBISRSOSO-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.66
Rot. Bonds5

About (2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

(2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7660698) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7660698
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name(2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C16H16N2O5/c1-3-12-14(10(2)23-18-12)16(21)22-9-13(19)17-15(20)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,19,20)
InChIKeyXYBOXKBISRSOSO-UHFFFAOYSA-N
XLogP1.66
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 2435653
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-benzamido-3-methylbutanoate
CID 2435899
[2-(4-Carbamoylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2570326
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681595
[1-(N-methylanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 6915644
[2-(3-Methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660567
[2-Oxo-2-(1-phenylethylamino)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16306830
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 2404496
[2-(Benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2416796
[2-(3-Methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614419
[2-(4-Cyanoanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614540
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 24687409

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 7660698) is (2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCC(=O)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is XYBOXKBISRSOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-3-12-14(10(2)23-18-12)16(21)22-9-13(19)17-15(20)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,19,20).
What are the key properties of (2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
(2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 316.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7660698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).