ethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

C11H14N4O3 — CID 20947846

IUPACethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(NC(C)C)c12
InChIInChI=1S/C11H14N4O3/c1-4-17-11(16)8-7-9(14-6(2)3)12-5-13-10(7)18-15-8/h5-6H,4H2,1-3H3,(H,12,13,14)
InChIKeyYWPJQGFPRKKIKL-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.61
Rot. Bonds4

About ethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

ethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 20947846) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is ethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID20947846
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Nameethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(NC(C)C)c12
InChIInChI=1S/C11H14N4O3/c1-4-17-11(16)8-7-9(14-6(2)3)12-5-13-10(7)18-15-8/h5-6H,4H2,1-3H3,(H,12,13,14)
InChIKeyYWPJQGFPRKKIKL-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 20947846) is ethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2ncnc(NC(C)C)c12.
What is the InChIKey of ethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is YWPJQGFPRKKIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-4-17-11(16)8-7-9(14-6(2)3)12-5-13-10(7)18-15-8/h5-6H,4H2,1-3H3,(H,12,13,14).
What are the key properties of ethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 250.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 20947846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).