ethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate

C11H14N4O3 — CID 15987613

IUPACethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ncnc2onc(C)c12
InChIInChI=1S/C11H14N4O3/c1-4-17-11(16)7(3)14-9-8-6(2)15-18-10(8)13-5-12-9/h5,7H,4H2,1-3H3,(H,12,13,14)
InChIKeyCZGABJFWXGVPNW-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.29
Rot. Bonds4

About ethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate

ethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate (PubChem CID 15987613) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is ethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate
PubChem CID15987613
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Nameethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ncnc2onc(C)c12
InChIInChI=1S/C11H14N4O3/c1-4-17-11(16)7(3)14-9-8-6(2)15-18-10(8)13-5-12-9/h5,7H,4H2,1-3H3,(H,12,13,14)
InChIKeyCZGABJFWXGVPNW-UHFFFAOYSA-N
XLogP1.29
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate (CID 15987613) is ethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate is CCOC(=O)C(C)Nc1ncnc2onc(C)c12.
What is the InChIKey of ethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate?
The InChIKey is CZGABJFWXGVPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-4-17-11(16)7(3)14-9-8-6(2)15-18-10(8)13-5-12-9/h5,7H,4H2,1-3H3,(H,12,13,14).
What are the key properties of ethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate?
ethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate has a molecular weight of 250.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 15987613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).