ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate

C17H18N4O5 — CID 58182581

IUPACethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc([C@@H](C)CC(=O)c2ncnc3c2CCC(=O)N3)on1
InChIInChI=1S/C17H18N4O5/c1-3-25-17(24)11-7-13(26-21-11)9(2)6-12(22)15-10-4-5-14(23)20-16(10)19-8-18-15/h7-9H,3-6H2,1-2H3,(H,18,19,20,23)/t9-/m0/s1
InChIKeyGHXLWOAWFRMYCV-VIFPVBQESA-N
MW358.35 g/mol
LogP1.90
Rot. Bonds6

About ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate

ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate (PubChem CID 58182581) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate
PubChem CID58182581
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Nameethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc([C@@H](C)CC(=O)c2ncnc3c2CCC(=O)N3)on1
InChIInChI=1S/C17H18N4O5/c1-3-25-17(24)11-7-13(26-21-11)9(2)6-12(22)15-10-4-5-14(23)20-16(10)19-8-18-15/h7-9H,3-6H2,1-2H3,(H,18,19,20,23)/t9-/m0/s1
InChIKeyGHXLWOAWFRMYCV-VIFPVBQESA-N
XLogP1.90
TPSA124.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate (CID 58182581) is ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc([C@@H](C)CC(=O)c2ncnc3c2CCC(=O)N3)on1.
What is the InChIKey of ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is GHXLWOAWFRMYCV-VIFPVBQESA-N. The full InChI is InChI=1S/C17H18N4O5/c1-3-25-17(24)11-7-13(26-21-11)9(2)6-12(22)15-10-4-5-14(23)20-16(10)19-8-18-15/h7-9H,3-6H2,1-2H3,(H,18,19,20,23)/t9-/m0/s1.
What are the key properties of ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate?
ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 358.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 58182581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).