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

C23H18F3N3O4 — CID 50764237

IUPACN-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C23H18F3N3O4/c1-13-7-8-19(32-12-15-11-21(30)29-20(27-15)10-14(2)33-29)18(9-13)28-22(31)16-5-3-4-6-17(16)23(24,25)26/h3-11H,12H2,1-2H3,(H,28,31)
InChIKeyPADAVZMYMOSNSM-UHFFFAOYSA-N
MW457.41 g/mol
LogP4.75
Rot. Bonds5

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

N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 50764237) has the molecular formula C23H18F3N3O4 and a molecular weight of 457.41 g/mol. Its IUPAC name is N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(trifluoromethyl)benzamide
PubChem CID50764237
Molecular FormulaC23H18F3N3O4
Molecular Weight457.41 g/mol
Exact Mass457.12
IUPAC NameN-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C23H18F3N3O4/c1-13-7-8-19(32-12-15-11-21(30)29-20(27-15)10-14(2)33-29)18(9-13)28-22(31)16-5-3-4-6-17(16)23(24,25)26/h3-11H,12H2,1-2H3,(H,28,31)
InChIKeyPADAVZMYMOSNSM-UHFFFAOYSA-N
XLogP4.75
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(trifluoromethyl)benzamide (CID 50764237) is N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(trifluoromethyl)benzamide is Cc1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is PADAVZMYMOSNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O4/c1-13-7-8-19(32-12-15-11-21(30)29-20(27-15)10-14(2)33-29)18(9-13)28-22(31)16-5-3-4-6-17(16)23(24,25)26/h3-11H,12H2,1-2H3,(H,28,31).
What are the key properties of N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(trifluoromethyl)benzamide?
N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 457.41 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 50764237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).