methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate

C13H20N2O4 — CID 3434185

IUPACmethyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCC(=O)N(CCC)Cc1nc(C(=O)OC)co1
InChIInChI=1S/C13H20N2O4/c1-4-6-12(16)15(7-5-2)8-11-14-10(9-19-11)13(17)18-3/h9H,4-8H2,1-3H3
InChIKeySARVAHNVLRVSOC-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.00
Rot. Bonds7

About methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 3434185) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID3434185
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCC(=O)N(CCC)Cc1nc(C(=O)OC)co1
InChIInChI=1S/C13H20N2O4/c1-4-6-12(16)15(7-5-2)8-11-14-10(9-19-11)13(17)18-3/h9H,4-8H2,1-3H3
InChIKeySARVAHNVLRVSOC-UHFFFAOYSA-N
XLogP2.00
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate (CID 3434185) is methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate is CCCC(=O)N(CCC)Cc1nc(C(=O)OC)co1.
What is the InChIKey of methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is SARVAHNVLRVSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-6-12(16)15(7-5-2)8-11-14-10(9-19-11)13(17)18-3/h9H,4-8H2,1-3H3.
What are the key properties of methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 3434185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).