methyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate

C15H19N3O4 — CID 174175156

IUPACmethyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate
SMILESCCC(C)C(C(=O)OC)c1cc(-c2cnc(OC)nc2)no1
InChIInChI=1S/C15H19N3O4/c1-5-9(2)13(14(19)20-3)12-6-11(18-22-12)10-7-16-15(21-4)17-8-10/h6-9,13H,5H2,1-4H3
InChIKeyHDXSCGKGGGAODP-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.44
Rot. Bonds6

About methyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate

methyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate (PubChem CID 174175156) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate
PubChem CID174175156
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemethyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate
SMILESCCC(C)C(C(=O)OC)c1cc(-c2cnc(OC)nc2)no1
InChIInChI=1S/C15H19N3O4/c1-5-9(2)13(14(19)20-3)12-6-11(18-22-12)10-7-16-15(21-4)17-8-10/h6-9,13H,5H2,1-4H3
InChIKeyHDXSCGKGGGAODP-UHFFFAOYSA-N
XLogP2.44
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-1,2-oxazol-5-yl]-3-methylbutanoate
CID 170350155
methyl 2-[3-(4-bromo-3-methylphenyl)-1,2-oxazol-5-yl]-3-methylhexanoate
CID 170349995
1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223965
methyl 2-[3-[2-[4-[3-(2-hydroxyphenyl)-5H-pyrrolo[3,2-c]pyridazin-6-yl]piperidin-1-yl]pyrimidin-5-yl]-1,2-oxazol-5-yl]-3-methylbutanoate
CID 170334080
methyl 2-[3-[4-(2-chloropyrimidin-5-yl)cyclohexyl]-1,2-oxazol-5-yl]-3-methylbutanoate
CID 163374176
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 119059740
methyl 2-[3-(5,5-dimethoxypentoxy)-1,2-oxazol-5-yl]-3-methylbutanoate
CID 155584345
methyl 2-[3-[3-(5-hydroxypyrimidin-2-yl)prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoate
CID 168903863
ethyl 2-[3-[4-[6-(2-hydroxyphenyl)pyridazin-4-yl]phenyl]-1,2-oxazol-5-yl]-3-methylbutanoate
CID 169001643
ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate
CID 171865797
methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate
CID 3061223
3-methyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]amino]butanoic acid
CID 5004859

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate?
The IUPAC name of methyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate (CID 174175156) is methyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate?
The canonical SMILES for methyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate is CCC(C)C(C(=O)OC)c1cc(-c2cnc(OC)nc2)no1.
What is the InChIKey of methyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate?
The InChIKey is HDXSCGKGGGAODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-5-9(2)13(14(19)20-3)12-6-11(18-22-12)10-7-16-15(21-4)17-8-10/h6-9,13H,5H2,1-4H3.
What are the key properties of methyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate?
methyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate has a molecular weight of 305.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate is sourced from PubChem (CID 174175156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).