N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C23H18F3N3O5 — CID 50764200

IUPACN-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc2nc(COc3cccc(NC(=O)COc4cccc(C(F)(F)F)c4)c3)cc(=O)n2o1
InChIInChI=1S/C23H18F3N3O5/c1-14-8-20-27-17(11-22(31)29(20)34-14)12-32-19-7-3-5-16(10-19)28-21(30)13-33-18-6-2-4-15(9-18)23(24,25)26/h2-11H,12-13H2,1H3,(H,28,30)
InChIKeyRMWUTYQNFCWGKS-UHFFFAOYSA-N
MW473.41 g/mol
LogP4.21
Rot. Bonds7

About N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 50764200) has the molecular formula C23H18F3N3O5 and a molecular weight of 473.41 g/mol. Its IUPAC name is N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID50764200
Molecular FormulaC23H18F3N3O5
Molecular Weight473.41 g/mol
Exact Mass473.12
IUPAC NameN-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc2nc(COc3cccc(NC(=O)COc4cccc(C(F)(F)F)c4)c3)cc(=O)n2o1
InChIInChI=1S/C23H18F3N3O5/c1-14-8-20-27-17(11-22(31)29(20)34-14)12-32-19-7-3-5-16(10-19)28-21(30)13-33-18-6-2-4-15(9-18)23(24,25)26/h2-11H,12-13H2,1H3,(H,28,30)
InChIKeyRMWUTYQNFCWGKS-UHFFFAOYSA-N
XLogP4.21
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxyacetamide
CID 20874382
N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide
CID 20874384
N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(2-methylphenoxy)acetamide
CID 20874383
2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
CID 50764217
N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide
CID 50744324
2-(4-methylphenoxy)-N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802130
3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide
CID 50744336
2-(3,4-dimethylphenoxy)-N-[4-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
CID 50806044
2-(4-methoxyphenoxy)-N-[3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802646
N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide
CID 50764162
N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(3-methylphenoxy)acetamide
CID 20939545
N-(3-prop-2-enoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 95162922

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 50764200) is N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is Cc1cc2nc(COc3cccc(NC(=O)COc4cccc(C(F)(F)F)c4)c3)cc(=O)n2o1.
What is the InChIKey of N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is RMWUTYQNFCWGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O5/c1-14-8-20-27-17(11-22(31)29(20)34-14)12-32-19-7-3-5-16(10-19)28-21(30)13-33-18-6-2-4-15(9-18)23(24,25)26/h2-11H,12-13H2,1H3,(H,28,30).
What are the key properties of N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 473.41 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 50764200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).