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

C23H21FN4O3 — CID 20922455

IUPAC2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide
SMILESCCCN(C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)c1ccccc1C
InChIInChI=1S/C23H21FN4O3/c1-3-12-28(18-7-5-4-6-15(18)2)19(29)13-27-14-25-22-20(23(27)30)21(26-31-22)16-8-10-17(24)11-9-16/h4-11,14H,3,12-13H2,1-2H3
InChIKeyJCQYQCOGVQQOBL-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.94
Rot. Bonds6

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

2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide (PubChem CID 20922455) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide
PubChem CID20922455
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide
SMILESCCCN(C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)c1ccccc1C
InChIInChI=1S/C23H21FN4O3/c1-3-12-28(18-7-5-4-6-15(18)2)19(29)13-27-14-25-22-20(23(27)30)21(26-31-22)16-8-10-17(24)11-9-16/h4-11,14H,3,12-13H2,1-2H3
InChIKeyJCQYQCOGVQQOBL-UHFFFAOYSA-N
XLogP3.94
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide (CID 20922455) is 2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide is CCCN(C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)c1ccccc1C.
What is the InChIKey of 2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide?
The InChIKey is JCQYQCOGVQQOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-3-12-28(18-7-5-4-6-15(18)2)19(29)13-27-14-25-22-20(23(27)30)21(26-31-22)16-8-10-17(24)11-9-16/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of 2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide?
2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide has a molecular weight of 420.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide is sourced from PubChem (CID 20922455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).