[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate

C14H11F3N2O5 — CID 2468499

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate
SMILESCc1cc(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C14H11F3N2O5/c1-8-6-11(19-24-8)18-12(20)7-22-13(21)9-2-4-10(5-3-9)23-14(15,16)17/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyPFJTXJBNAACKNY-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.68
Rot. Bonds5

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate (PubChem CID 2468499) has the molecular formula C14H11F3N2O5 and a molecular weight of 344.25 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate
PubChem CID2468499
Molecular FormulaC14H11F3N2O5
Molecular Weight344.25 g/mol
Exact Mass344.06
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate
SMILESCc1cc(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C14H11F3N2O5/c1-8-6-11(19-24-8)18-12(20)7-22-13(21)9-2-4-10(5-3-9)23-14(15,16)17/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyPFJTXJBNAACKNY-UHFFFAOYSA-N
XLogP2.68
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate (CID 2468499) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate is Cc1cc(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate?
The InChIKey is PFJTXJBNAACKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O5/c1-8-6-11(19-24-8)18-12(20)7-22-13(21)9-2-4-10(5-3-9)23-14(15,16)17/h2-6H,7H2,1H3,(H,18,19,20).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate has a molecular weight of 344.25 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate is sourced from PubChem (CID 2468499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).