[4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate

C11H7F3N2O3 — CID 117218111

IUPAC[4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate
SMILESNc1cc(C(=O)Oc2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)6-1-3-7(4-2-6)18-10(17)8-5-9(15)16-19-8/h1-5H,(H2,15,16)
InChIKeyCUSRZKDCKAAJMN-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.49
Rot. Bonds2

About [4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate

[4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate (PubChem CID 117218111) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate
PubChem CID117218111
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name[4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate
SMILESNc1cc(C(=O)Oc2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)6-1-3-7(4-2-6)18-10(17)8-5-9(15)16-19-8/h1-5H,(H2,15,16)
InChIKeyCUSRZKDCKAAJMN-UHFFFAOYSA-N
XLogP2.49
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 117212841
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CID 117218388
[4-(trifluoromethyl)phenyl] carbonofluoridate
CID 10774714
[4-(trifluoromethyl)phenyl] pyridine-3-carboxylate
CID 144826285
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(4-methoxyphenyl) 4-(trifluoromethyl)benzoate
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CID 166350517
(4-tert-butylphenyl) [4-(trifluoromethyl)phenyl] carbonate
CID 70424353
[4-(3-amino-1,2-oxazol-5-yl)phenyl] carbamate
CID 175331108
[4-(trifluoromethyl)phenyl] prop-2-ynoate
CID 87293499
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(3,4-dimethylphenyl) 4-(trifluoromethyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate?
The IUPAC name of [4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate (CID 117218111) is [4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate is Nc1cc(C(=O)Oc2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate?
The InChIKey is CUSRZKDCKAAJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c12-11(13,14)6-1-3-7(4-2-6)18-10(17)8-5-9(15)16-19-8/h1-5H,(H2,15,16).
What are the key properties of [4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate?
[4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate has a molecular weight of 272.18 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] 3-amino-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 117218111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).