methyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate

C14H15ClN2O3 — CID 135354190

IUPACmethyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(NCCc2ccc(Cl)cc2)oc1C
InChIInChI=1S/C14H15ClN2O3/c1-9-12(13(18)19-2)17-14(20-9)16-8-7-10-3-5-11(15)6-4-10/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyYEPCWCVSGLQGMZ-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.08
Rot. Bonds5

About methyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate

methyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 135354190) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is methyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate
PubChem CID135354190
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Namemethyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(NCCc2ccc(Cl)cc2)oc1C
InChIInChI=1S/C14H15ClN2O3/c1-9-12(13(18)19-2)17-14(20-9)16-8-7-10-3-5-11(15)6-4-10/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyYEPCWCVSGLQGMZ-UHFFFAOYSA-N
XLogP3.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate (CID 135354190) is methyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate is COC(=O)c1nc(NCCc2ccc(Cl)cc2)oc1C.
What is the InChIKey of methyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is YEPCWCVSGLQGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-9-12(13(18)19-2)17-14(20-9)16-8-7-10-3-5-11(15)6-4-10/h3-6H,7-8H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate?
methyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 294.74 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 135354190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).