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-carboxylic acid

C15H14N4O5 — CID 58182691

IUPAC5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylic acid
SMILESC[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1cc(C(=O)O)no1
InChIInChI=1S/C15H14N4O5/c1-7(11-5-9(15(22)23)19-24-11)4-10(20)13-8-2-3-12(21)18-14(8)17-6-16-13/h5-7H,2-4H2,1H3,(H,22,23)(H,16,17,18,21)/t7-/m0/s1
InChIKeyJINGPPKUEGEZBM-ZETCQYMHSA-N
MW330.30 g/mol
LogP1.42
Rot. Bonds5

About 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-carboxylic acid

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-carboxylic acid (PubChem CID 58182691) has the molecular formula C15H14N4O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is 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-carboxylic acid.

Molecular Properties

Compound Name5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylic acid
PubChem CID58182691
Molecular FormulaC15H14N4O5
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC Name5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylic acid
SMILESC[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1cc(C(=O)O)no1
InChIInChI=1S/C15H14N4O5/c1-7(11-5-9(15(22)23)19-24-11)4-10(20)13-8-2-3-12(21)18-14(8)17-6-16-13/h5-7H,2-4H2,1H3,(H,22,23)(H,16,17,18,21)/t7-/m0/s1
InChIKeyJINGPPKUEGEZBM-ZETCQYMHSA-N
XLogP1.42
TPSA135.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-carboxylic acid?
The IUPAC name of 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-carboxylic acid (CID 58182691) is 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-carboxylic acid.
What is the SMILES notation for 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-carboxylic acid?
The canonical SMILES for 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-carboxylic acid is C[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1cc(C(=O)O)no1.
What is the InChIKey of 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-carboxylic acid?
The InChIKey is JINGPPKUEGEZBM-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H14N4O5/c1-7(11-5-9(15(22)23)19-24-11)4-10(20)13-8-2-3-12(21)18-14(8)17-6-16-13/h5-7H,2-4H2,1H3,(H,22,23)(H,16,17,18,21)/t7-/m0/s1.
What are the key properties of 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-carboxylic acid?
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-carboxylic acid has a molecular weight of 330.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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-carboxylic acid is sourced from PubChem (CID 58182691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).