4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C14H14N4O4 — CID 58182627

IUPAC4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCC(=O)c1cc(COc2ncnc3c2CCC(=O)N3)on1
InChIInChI=1S/C14H14N4O4/c1-2-11(19)10-5-8(22-18-10)6-21-14-9-3-4-12(20)17-13(9)15-7-16-14/h5,7H,2-4,6H2,1H3,(H,15,16,17,20)
InChIKeyZNKYLTRFUGFPMV-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.52
Rot. Bonds5

About 4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58182627) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID58182627
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCC(=O)c1cc(COc2ncnc3c2CCC(=O)N3)on1
InChIInChI=1S/C14H14N4O4/c1-2-11(19)10-5-8(22-18-10)6-21-14-9-3-4-12(20)17-13(9)15-7-16-14/h5,7H,2-4,6H2,1H3,(H,15,16,17,20)
InChIKeyZNKYLTRFUGFPMV-UHFFFAOYSA-N
XLogP1.52
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 58182627) is 4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CCC(=O)c1cc(COc2ncnc3c2CCC(=O)N3)on1.
What is the InChIKey of 4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZNKYLTRFUGFPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-2-11(19)10-5-8(22-18-10)6-21-14-9-3-4-12(20)17-13(9)15-7-16-14/h5,7H,2-4,6H2,1H3,(H,15,16,17,20).
What are the key properties of 4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 302.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propanoyl-1,2-oxazol-5-yl)methoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58182627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).