2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide

C12H5F3N2O4 — CID 139223114

IUPAC2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide
SMILESO=C(Nc1noc2c1c(=O)oc1ccccc12)C(F)(F)F
InChIInChI=1S/C12H5F3N2O4/c13-12(14,15)11(19)16-9-7-8(21-17-9)5-3-1-2-4-6(5)20-10(7)18/h1-4H,(H,16,17,19)
InChIKeyUWSCZCODJLPIIY-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.43
Rot. Bonds1

About 2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide

2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide (PubChem CID 139223114) has the molecular formula C12H5F3N2O4 and a molecular weight of 298.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide
PubChem CID139223114
Molecular FormulaC12H5F3N2O4
Molecular Weight298.18 g/mol
Exact Mass298.02
IUPAC Name2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide
SMILESO=C(Nc1noc2c1c(=O)oc1ccccc12)C(F)(F)F
InChIInChI=1S/C12H5F3N2O4/c13-12(14,15)11(19)16-9-7-8(21-17-9)5-3-1-2-4-6(5)20-10(7)18/h1-4H,(H,16,17,19)
InChIKeyUWSCZCODJLPIIY-UHFFFAOYSA-N
XLogP2.43
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea
CID 6625806
2,2,2-trifluoro-N-(8-methyl-4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide
CID 139223115
1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 22550208
2-(7-methyl-2-oxo-2H-chromen-4-yl)-N-(5-methylisoxazol-3-yl)acetamide
CID 41180337
2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
CID 11988398
3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
CID 11988664
2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
CID 11988794
[2-[[5-(Trifluoromethyl)-1,2-oxazol-3-yl]carbamoyl]phenyl] acetate
CID 49819544
[2-[[4-Methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]carbamoyl]phenyl] acetate
CID 49819546
[4-[[5-(2,2,2-Trifluoroethyl)-1,2-oxazol-3-yl]carbamoyl]phenyl] acetate
CID 59581489
2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide
CID 67408081
[4-(2,2,2-Trifluoroethoxy)-1,2-benzoxazol-3-yl]carbamic acid
CID 67409455

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide (CID 139223114) is 2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide is O=C(Nc1noc2c1c(=O)oc1ccccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide?
The InChIKey is UWSCZCODJLPIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F3N2O4/c13-12(14,15)11(19)16-9-7-8(21-17-9)5-3-1-2-4-6(5)20-10(7)18/h1-4H,(H,16,17,19).
What are the key properties of 2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide?
2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide has a molecular weight of 298.18 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide is sourced from PubChem (CID 139223114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).