ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate

C14H14N2O4 — CID 57333911

IUPACethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C(=O)NC)noc1-c1ccccc1
InChIInChI=1S/C14H14N2O4/c1-3-19-14(18)10-11(13(17)15-2)16-20-12(10)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyABTVVSROWHWQJR-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.88
Rot. Bonds4

About ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate

ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 57333911) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate
PubChem CID57333911
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Nameethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C(=O)NC)noc1-c1ccccc1
InChIInChI=1S/C14H14N2O4/c1-3-19-14(18)10-11(13(17)15-2)16-20-12(10)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyABTVVSROWHWQJR-UHFFFAOYSA-N
XLogP1.88
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 131867124
ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate
CID 102300604
[3-(dimethylamino)-3-oxopropyl] 3-methyl-5-phenyl-1,2-oxazole-4-carboxylate
CID 86792085
ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate
CID 139094776
ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate
CID 14957307
ethyl 4-hydroxy-5-methyl-2-phenylfuran-3-carboxylate
CID 117059608
ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71266194
tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596513
diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate
CID 146164028
(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid
CID 68885744
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate (CID 57333911) is ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(C(=O)NC)noc1-c1ccccc1.
What is the InChIKey of ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is ABTVVSROWHWQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-19-14(18)10-11(13(17)15-2)16-20-12(10)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,15,17).
What are the key properties of ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate?
ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 57333911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).