2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid

C16H10F3NO4 — CID 162647189

IUPAC2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(=O)oc2c(-c3ccc(C(F)(F)F)cc3)cccc21
InChIInChI=1S/C16H10F3NO4/c17-16(18,19)10-6-4-9(5-7-10)11-2-1-3-12-14(11)24-15(23)20(12)8-13(21)22/h1-7H,8H2,(H,21,22)
InChIKeyRPRQKZBPIYNMOT-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.36
Rot. Bonds3

About 2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid

2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid (PubChem CID 162647189) has the molecular formula C16H10F3NO4 and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid
PubChem CID162647189
Molecular FormulaC16H10F3NO4
Molecular Weight337.25 g/mol
Exact Mass337.06
IUPAC Name2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(=O)oc2c(-c3ccc(C(F)(F)F)cc3)cccc21
InChIInChI=1S/C16H10F3NO4/c17-16(18,19)10-6-4-9(5-7-10)11-2-1-3-12-14(11)24-15(23)20(12)8-13(21)22/h1-7H,8H2,(H,21,22)
InChIKeyRPRQKZBPIYNMOT-UHFFFAOYSA-N
XLogP3.36
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one
CID 52942744
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
3-[(3-Fluorophenyl)methyl]-1,3-benzoxazol-2-one
CID 8071109
N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide
CID 70682775
3-[2-(Methylphenylamino)-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]benzoxazole-2(3H)-one
CID 70693298
2-[5-(4-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70695397
N-methyl-2-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide
CID 70697418
3-Phenethyl-3H-benzooxazol-2-one
CID 651817
2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide
CID 11198965
3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one
CID 720432
3-[4-[N-(2,4-Dimethylbenzyl)-N-methylamino]butyl]benzo[d]oxazol-2(3H)-one
CID 44248688
3-[3-[N-Methylamino-N-(4-methylbenzyl)]propyl]benzo[d]oxazol-2(3H)-one
CID 44248802

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid?
The IUPAC name of 2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid (CID 162647189) is 2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid is O=C(O)Cn1c(=O)oc2c(-c3ccc(C(F)(F)F)cc3)cccc21.
What is the InChIKey of 2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid?
The InChIKey is RPRQKZBPIYNMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO4/c17-16(18,19)10-6-4-9(5-7-10)11-2-1-3-12-14(11)24-15(23)20(12)8-13(21)22/h1-7H,8H2,(H,21,22).
What are the key properties of 2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid?
2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid has a molecular weight of 337.25 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-7-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]acetic acid is sourced from PubChem (CID 162647189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).