methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate

C18H17ClN4O3 — CID 90109881

IUPACmethyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate
SMILESCCc1cc(Nc2ncc(CC(=O)OC)o2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H17ClN4O3/c1-3-13-8-15(22-17(21-13)11-5-4-6-12(19)7-11)23-18-20-10-14(26-18)9-16(24)25-2/h4-8,10H,3,9H2,1-2H3,(H,20,21,22,23)
InChIKeyYMOPSIMZIUJKJS-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.81
Rot. Bonds6

About methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate

methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate (PubChem CID 90109881) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate
PubChem CID90109881
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Namemethyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate
SMILESCCc1cc(Nc2ncc(CC(=O)OC)o2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H17ClN4O3/c1-3-13-8-15(22-17(21-13)11-5-4-6-12(19)7-11)23-18-20-10-14(26-18)9-16(24)25-2/h4-8,10H,3,9H2,1-2H3,(H,20,21,22,23)
InChIKeyYMOPSIMZIUJKJS-UHFFFAOYSA-N
XLogP3.81
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate?
The IUPAC name of methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate (CID 90109881) is methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate?
The canonical SMILES for methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate is CCc1cc(Nc2ncc(CC(=O)OC)o2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate?
The InChIKey is YMOPSIMZIUJKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-3-13-8-15(22-17(21-13)11-5-4-6-12(19)7-11)23-18-20-10-14(26-18)9-16(24)25-2/h4-8,10H,3,9H2,1-2H3,(H,20,21,22,23).
What are the key properties of methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate?
methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate has a molecular weight of 372.81 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate is sourced from PubChem (CID 90109881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).