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

C14H16N4O2 — CID 58710381

IUPAC4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cc(CCc2ncnc3c2CCC(=O)N3)on1
InChIInChI=1S/C14H16N4O2/c1-2-9-7-10(20-18-9)3-5-12-11-4-6-13(19)17-14(11)16-8-15-12/h7-8H,2-6H2,1H3,(H,15,16,17,19)
InChIKeyDJDCZRBPYJNMJF-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.70
Rot. Bonds4

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

4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58710381) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID58710381
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cc(CCc2ncnc3c2CCC(=O)N3)on1
InChIInChI=1S/C14H16N4O2/c1-2-9-7-10(20-18-9)3-5-12-11-4-6-13(19)17-14(11)16-8-15-12/h7-8H,2-6H2,1H3,(H,15,16,17,19)
InChIKeyDJDCZRBPYJNMJF-UHFFFAOYSA-N
XLogP1.70
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 58710381) is 4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CCc1cc(CCc2ncnc3c2CCC(=O)N3)on1.
What is the InChIKey of 4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DJDCZRBPYJNMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-9-7-10(20-18-9)3-5-12-11-4-6-13(19)17-14(11)16-8-15-12/h7-8H,2-6H2,1H3,(H,15,16,17,19).
What are the key properties of 4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 272.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58710381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).