methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate

C11H17N3O4 — CID 13489713

IUPACmethyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C11H17N3O4/c1-11(2,3)7-5-8(14-18-7)13-10(16)12-6-9(15)17-4/h5H,6H2,1-4H3,(H2,12,13,14,16)
InChIKeyINKSKYPJZHHIOA-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.27
Rot. Bonds3

About methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate

methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate (PubChem CID 13489713) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate
PubChem CID13489713
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C11H17N3O4/c1-11(2,3)7-5-8(14-18-7)13-10(16)12-6-9(15)17-4/h5H,6H2,1-4H3,(H2,12,13,14,16)
InChIKeyINKSKYPJZHHIOA-UHFFFAOYSA-N
XLogP1.27
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate?
The IUPAC name of methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate (CID 13489713) is methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate.
What is the SMILES notation for methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate?
The canonical SMILES for methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate is COC(=O)CNC(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate?
The InChIKey is INKSKYPJZHHIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-11(2,3)7-5-8(14-18-7)13-10(16)12-6-9(15)17-4/h5H,6H2,1-4H3,(H2,12,13,14,16).
What are the key properties of methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate?
methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate has a molecular weight of 255.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate is sourced from PubChem (CID 13489713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).