ethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

C14H18N4O3 — CID 92724558

IUPACethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(N3CCCC[C@@H]3C)c12
InChIInChI=1S/C14H18N4O3/c1-3-20-14(19)11-10-12(15-8-16-13(10)21-17-11)18-7-5-4-6-9(18)2/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyYAOIHQVDIKXXRM-VIFPVBQESA-N
MW290.32 g/mol
LogP2.17
Rot. Bonds3

About ethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

ethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 92724558) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID92724558
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Nameethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(N3CCCC[C@@H]3C)c12
InChIInChI=1S/C14H18N4O3/c1-3-20-14(19)11-10-12(15-8-16-13(10)21-17-11)18-7-5-4-6-9(18)2/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyYAOIHQVDIKXXRM-VIFPVBQESA-N
XLogP2.17
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 92724558) is ethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2ncnc(N3CCCC[C@@H]3C)c12.
What is the InChIKey of ethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is YAOIHQVDIKXXRM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-20-14(19)11-10-12(15-8-16-13(10)21-17-11)18-7-5-4-6-9(18)2/h8-9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2S)-2-methylpiperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 92724558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).