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

C20H15FN4O3 — CID 46358131

IUPAC2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3onc(-c4cccc(F)c4)c3c2=O)cc1
InChIInChI=1S/C20H15FN4O3/c1-12-5-7-15(8-6-12)23-16(26)10-25-11-22-19-17(20(25)27)18(24-28-19)13-3-2-4-14(21)9-13/h2-9,11H,10H2,1H3,(H,23,26)
InChIKeyVGDOVKQVXSZGKZ-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.14
Rot. Bonds4

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

2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 46358131) has the molecular formula C20H15FN4O3 and a molecular weight of 378.36 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID46358131
Molecular FormulaC20H15FN4O3
Molecular Weight378.36 g/mol
Exact Mass378.11
IUPAC Name2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3onc(-c4cccc(F)c4)c3c2=O)cc1
InChIInChI=1S/C20H15FN4O3/c1-12-5-7-15(8-6-12)23-16(26)10-25-11-22-19-17(20(25)27)18(24-28-19)13-3-2-4-14(21)9-13/h2-9,11H,10H2,1H3,(H,23,26)
InChIKeyVGDOVKQVXSZGKZ-UHFFFAOYSA-N
XLogP3.14
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46358080
2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 46358104
N-[(3-chlorophenyl)methyl]-2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46358114
3-[3-(3,5-difluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-ethylphenyl)propanamide
CID 50759175
N-(2,5-dimethylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46358070
N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46279916
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46358092
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
ethyl 3-[2-(3-fluoroanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651858
N-[(2-bromophenyl)methyl]-3-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46279875
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-[(4-methylphenyl)methyl]acetamide
CID 46350114

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide (CID 46358131) is 2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cnc3onc(-c4cccc(F)c4)c3c2=O)cc1.
What is the InChIKey of 2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is VGDOVKQVXSZGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3/c1-12-5-7-15(8-6-12)23-16(26)10-25-11-22-19-17(20(25)27)18(24-28-19)13-3-2-4-14(21)9-13/h2-9,11H,10H2,1H3,(H,23,26).
What are the key properties of 2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide?
2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 378.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 46358131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).