N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide

C23H21FN4O4 — CID 20922461

IUPACN-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCCOc1ccc(N(CC)C(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1
InChIInChI=1S/C23H21FN4O4/c1-3-28(17-9-11-18(12-10-17)31-4-2)19(29)13-27-14-25-22-20(23(27)30)21(26-32-22)15-5-7-16(24)8-6-15/h5-12,14H,3-4,13H2,1-2H3
InChIKeyBCHBFBDRNCBIQT-UHFFFAOYSA-N
MW436.44 g/mol
LogP3.64
Rot. Bonds7

About N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide

N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide (PubChem CID 20922461) has the molecular formula C23H21FN4O4 and a molecular weight of 436.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
PubChem CID20922461
Molecular FormulaC23H21FN4O4
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC NameN-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCCOc1ccc(N(CC)C(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1
InChIInChI=1S/C23H21FN4O4/c1-3-28(17-9-11-18(12-10-17)31-4-2)19(29)13-27-14-25-22-20(23(27)30)21(26-32-22)15-5-7-16(24)8-6-15/h5-12,14H,3-4,13H2,1-2H3
InChIKeyBCHBFBDRNCBIQT-UHFFFAOYSA-N
XLogP3.64
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide (CID 20922461) is N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide is CCOc1ccc(N(CC)C(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
The InChIKey is BCHBFBDRNCBIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4/c1-3-28(17-9-11-18(12-10-17)31-4-2)19(29)13-27-14-25-22-20(23(27)30)21(26-32-22)15-5-7-16(24)8-6-15/h5-12,14H,3-4,13H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide has a molecular weight of 436.44 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 20922461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).