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

C20H14BrFN4O3 — CID 20922463

IUPACN-(4-bromophenyl)-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide
SMILESCN(C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)c1ccc(Br)cc1
InChIInChI=1S/C20H14BrFN4O3/c1-25(15-8-4-13(21)5-9-15)16(27)10-26-11-23-19-17(20(26)28)18(24-29-19)12-2-6-14(22)7-3-12/h2-9,11H,10H2,1H3
InChIKeyNFNDWCXVDWACJX-UHFFFAOYSA-N
MW457.26 g/mol
LogP3.62
Rot. Bonds4

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

N-(4-bromophenyl)-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide (PubChem CID 20922463) has the molecular formula C20H14BrFN4O3 and a molecular weight of 457.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide
PubChem CID20922463
Molecular FormulaC20H14BrFN4O3
Molecular Weight457.26 g/mol
Exact Mass456.02
IUPAC NameN-(4-bromophenyl)-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide
SMILESCN(C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)c1ccc(Br)cc1
InChIInChI=1S/C20H14BrFN4O3/c1-25(15-8-4-13(21)5-9-15)16(27)10-26-11-23-19-17(20(26)28)18(24-29-19)12-2-6-14(22)7-3-12/h2-9,11H,10H2,1H3
InChIKeyNFNDWCXVDWACJX-UHFFFAOYSA-N
XLogP3.62
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-N-ethyl-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 20922461
2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)-N-propylacetamide
CID 20922455
2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide
CID 20922429
3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylpropanamide
CID 45106689
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 20922469
3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 20922476
N-(2-fluorophenyl)-3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46280042
2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide
CID 91903896
2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide
CID 46358131
3-(4-chlorophenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 129219680
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 50759173
N-(4-aminophenyl)-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66311085

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide (CID 20922463) is N-(4-bromophenyl)-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide is CN(C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide?
The InChIKey is NFNDWCXVDWACJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN4O3/c1-25(15-8-4-13(21)5-9-15)16(27)10-26-11-23-19-17(20(26)28)18(24-29-19)12-2-6-14(22)7-3-12/h2-9,11H,10H2,1H3.
What are the key properties of N-(4-bromophenyl)-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide?
N-(4-bromophenyl)-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide has a molecular weight of 457.26 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide is sourced from PubChem (CID 20922463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).