(3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C13H20N2O5 — CID 33098216

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCc1cc(COC(=O)CCNC(=O)OC(C)(C)C)on1
InChIInChI=1S/C13H20N2O5/c1-9-7-10(20-15-9)8-18-11(16)5-6-14-12(17)19-13(2,3)4/h7H,5-6,8H2,1-4H3,(H,14,17)
InChIKeyQGFAAAZEBAKBKF-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.94
Rot. Bonds5

About (3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

(3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 33098216) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID33098216
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCc1cc(COC(=O)CCNC(=O)OC(C)(C)C)on1
InChIInChI=1S/C13H20N2O5/c1-9-7-10(20-15-9)8-18-11(16)5-6-14-12(17)19-13(2,3)4/h7H,5-6,8H2,1-4H3,(H,14,17)
InChIKeyQGFAAAZEBAKBKF-UHFFFAOYSA-N
XLogP1.94
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 33098216) is (3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is Cc1cc(COC(=O)CCNC(=O)OC(C)(C)C)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is QGFAAAZEBAKBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-9-7-10(20-15-9)8-18-11(16)5-6-14-12(17)19-13(2,3)4/h7H,5-6,8H2,1-4H3,(H,14,17).
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
(3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 284.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 33098216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).