N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide

C15H12F6N2O4 — CID 17349172

IUPACN-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)no1
InChIInChI=1S/C15H12F6N2O4/c1-8-2-12(23-27-8)13(24)22-9-3-10(25-6-14(16,17)18)5-11(4-9)26-7-15(19,20)21/h2-5H,6-7H2,1H3,(H,22,24)
InChIKeyREEJDAQCENVAHJ-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.12
Rot. Bonds6

About N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 17349172) has the molecular formula C15H12F6N2O4 and a molecular weight of 398.26 g/mol. Its IUPAC name is N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID17349172
Molecular FormulaC15H12F6N2O4
Molecular Weight398.26 g/mol
Exact Mass398.07
IUPAC NameN-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)no1
InChIInChI=1S/C15H12F6N2O4/c1-8-2-12(23-27-8)13(24)22-9-3-10(25-6-14(16,17)18)5-11(4-9)26-7-15(19,20)21/h2-5H,6-7H2,1H3,(H,22,24)
InChIKeyREEJDAQCENVAHJ-UHFFFAOYSA-N
XLogP4.12
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide
CID 2328696
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 66158522
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2115172
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
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CID 154841148
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N-(5-methyl-1,2-oxazol-3-yl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200329
5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 17349172) is N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)no1.
What is the InChIKey of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is REEJDAQCENVAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N2O4/c1-8-2-12(23-27-8)13(24)22-9-3-10(25-6-14(16,17)18)5-11(4-9)26-7-15(19,20)21/h2-5H,6-7H2,1H3,(H,22,24).
What are the key properties of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17349172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).