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

C25H25FN4O5 — CID 20922469

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1OCC
InChIInChI=1S/C25H25FN4O5/c1-3-33-19-10-5-16(13-20(19)34-4-2)11-12-27-21(31)14-30-15-28-24-22(25(30)32)23(29-35-24)17-6-8-18(26)9-7-17/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,27,31)
InChIKeyFMVHVXPXNDGUKH-UHFFFAOYSA-N
MW480.50 g/mol
LogP3.35
Rot. Bonds10

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

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide (PubChem CID 20922469) has the molecular formula C25H25FN4O5 and a molecular weight of 480.50 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
PubChem CID20922469
Molecular FormulaC25H25FN4O5
Molecular Weight480.50 g/mol
Exact Mass480.18
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1OCC
InChIInChI=1S/C25H25FN4O5/c1-3-33-19-10-5-16(13-20(19)34-4-2)11-12-27-21(31)14-30-15-28-24-22(25(30)32)23(29-35-24)17-6-8-18(26)9-7-17/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,27,31)
InChIKeyFMVHVXPXNDGUKH-UHFFFAOYSA-N
XLogP3.35
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide
CID 20922429
2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide
CID 46350111
N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 20922461
ethyl 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651740
2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide
CID 46358067
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetamide
CID 40903515
2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 46358104
2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 46350114
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 3440656
2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 22334767
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 50772964
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 3993067

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide (CID 20922469) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide is CCOc1ccc(CCNC(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
The InChIKey is FMVHVXPXNDGUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O5/c1-3-33-19-10-5-16(13-20(19)34-4-2)11-12-27-21(31)14-30-15-28-24-22(25(30)32)23(29-35-24)17-6-8-18(26)9-7-17/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide has a molecular weight of 480.50 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 20922469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).