2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C14H11F3N2O3 — CID 25072379

IUPAC2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1ccn2c(n1)OC(COc1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C14H11F3N2O3/c15-14(16,17)9-1-3-10(4-2-9)21-8-11-7-19-6-5-12(20)18-13(19)22-11/h1-6,11H,7-8H2
InChIKeyIAWRMOXDEFSXEG-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.10
Rot. Bonds3

About 2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 25072379) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID25072379
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Name2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1ccn2c(n1)OC(COc1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C14H11F3N2O3/c15-14(16,17)9-1-3-10(4-2-9)21-8-11-7-19-6-5-12(20)18-13(19)22-11/h1-6,11H,7-8H2
InChIKeyIAWRMOXDEFSXEG-UHFFFAOYSA-N
XLogP2.10
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 25072379) is 2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is O=c1ccn2c(n1)OC(COc1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is IAWRMOXDEFSXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c15-14(16,17)9-1-3-10(4-2-9)21-8-11-7-19-6-5-12(20)18-13(19)22-11/h1-6,11H,7-8H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 312.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 25072379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).