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

C19H21FN4O3 — CID 20922436

IUPACN-butyl-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCCCCN(CC)C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O
InChIInChI=1S/C19H21FN4O3/c1-3-5-10-23(4-2)15(25)11-24-12-21-18-16(19(24)26)17(22-27-18)13-6-8-14(20)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyQYBAZAGOONQVFG-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.84
Rot. Bonds7

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

N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide (PubChem CID 20922436) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
PubChem CID20922436
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-butyl-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCCCCN(CC)C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O
InChIInChI=1S/C19H21FN4O3/c1-3-5-10-23(4-2)15(25)11-24-12-21-18-16(19(24)26)17(22-27-18)13-6-8-14(20)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyQYBAZAGOONQVFG-UHFFFAOYSA-N
XLogP2.84
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
The IUPAC name of N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide (CID 20922436) is N-butyl-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-butyl-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide is CCCCN(CC)C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O.
What is the InChIKey of N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
The InChIKey is QYBAZAGOONQVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-3-5-10-23(4-2)15(25)11-24-12-21-18-16(19(24)26)17(22-27-18)13-6-8-14(20)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide has a molecular weight of 372.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 20922436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).