methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate

C11H16N2O4 — CID 75441942

IUPACmethyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate
SMILESCCCC(NC(=O)c1ncoc1C)C(=O)OC
InChIInChI=1S/C11H16N2O4/c1-4-5-8(11(15)16-3)13-10(14)9-7(2)17-6-12-9/h6,8H,4-5H2,1-3H3,(H,13,14)
InChIKeyBEOSZMURZWRDDW-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.05
Rot. Bonds5

About methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate

methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate (PubChem CID 75441942) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate
PubChem CID75441942
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate
SMILESCCCC(NC(=O)c1ncoc1C)C(=O)OC
InChIInChI=1S/C11H16N2O4/c1-4-5-8(11(15)16-3)13-10(14)9-7(2)17-6-12-9/h6,8H,4-5H2,1-3H3,(H,13,14)
InChIKeyBEOSZMURZWRDDW-UHFFFAOYSA-N
XLogP1.05
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate (CID 75441942) is methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate is CCCC(NC(=O)c1ncoc1C)C(=O)OC.
What is the InChIKey of methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate?
The InChIKey is BEOSZMURZWRDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-5-8(11(15)16-3)13-10(14)9-7(2)17-6-12-9/h6,8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate?
methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate has a molecular weight of 240.26 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate is sourced from PubChem (CID 75441942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).