3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide

C18H19FN4O3 — CID 45106282

IUPAC3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O
InChIInChI=1S/C18H19FN4O3/c1-11(2)9-20-14(24)7-8-23-10-21-17-15(18(23)25)16(22-26-17)12-3-5-13(19)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,20,24)
InChIKeyRSSZMSMJOIHTOC-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.35
Rot. Bonds6

About 3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide

3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide (PubChem CID 45106282) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide
PubChem CID45106282
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O
InChIInChI=1S/C18H19FN4O3/c1-11(2)9-20-14(24)7-8-23-10-21-17-15(18(23)25)16(22-26-17)12-3-5-13(19)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,20,24)
InChIKeyRSSZMSMJOIHTOC-UHFFFAOYSA-N
XLogP2.35
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide (CID 45106282) is 3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O.
What is the InChIKey of 3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is RSSZMSMJOIHTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-11(2)9-20-14(24)7-8-23-10-21-17-15(18(23)25)16(22-26-17)12-3-5-13(19)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,20,24).
What are the key properties of 3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide?
3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 358.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 45106282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).