methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate

C19H30N2O4 — CID 3610732

IUPACmethyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN(CCC(C)C)C(=O)CCC2CCCC2)n1
InChIInChI=1S/C19H30N2O4/c1-14(2)10-11-21(18(22)9-8-15-6-4-5-7-15)12-17-20-16(13-25-17)19(23)24-3/h13-15H,4-12H2,1-3H3
InChIKeyDCJULSCDGDCEGF-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.81
Rot. Bonds9

About methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 3610732) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID3610732
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namemethyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN(CCC(C)C)C(=O)CCC2CCCC2)n1
InChIInChI=1S/C19H30N2O4/c1-14(2)10-11-21(18(22)9-8-15-6-4-5-7-15)12-17-20-16(13-25-17)19(23)24-3/h13-15H,4-12H2,1-3H3
InChIKeyDCJULSCDGDCEGF-UHFFFAOYSA-N
XLogP3.81
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate (CID 3610732) is methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(CN(CCC(C)C)C(=O)CCC2CCCC2)n1.
What is the InChIKey of methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is DCJULSCDGDCEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-14(2)10-11-21(18(22)9-8-15-6-4-5-7-15)12-17-20-16(13-25-17)19(23)24-3/h13-15H,4-12H2,1-3H3.
What are the key properties of methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 3610732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).