N-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C14H12F6N4O4 — CID 167853477

IUPACN-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCN(CCN(C)C(=O)c1ncoc1C(F)(F)F)C(=O)c1ncoc1C(F)(F)F
InChIInChI=1S/C14H12F6N4O4/c1-23(11(25)7-9(13(15,16)17)27-5-21-7)3-4-24(2)12(26)8-10(14(18,19)20)28-6-22-8/h5-6H,3-4H2,1-2H3
InChIKeyJOBMCRLUIGXLOV-UHFFFAOYSA-N
MW414.26 g/mol
LogP2.54
Rot. Bonds5

About N-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 167853477) has the molecular formula C14H12F6N4O4 and a molecular weight of 414.26 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID167853477
Molecular FormulaC14H12F6N4O4
Molecular Weight414.26 g/mol
Exact Mass414.08
IUPAC NameN-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCN(CCN(C)C(=O)c1ncoc1C(F)(F)F)C(=O)c1ncoc1C(F)(F)F
InChIInChI=1S/C14H12F6N4O4/c1-23(11(25)7-9(13(15,16)17)27-5-21-7)3-4-24(2)12(26)8-10(14(18,19)20)28-6-22-8/h5-6H,3-4H2,1-2H3
InChIKeyJOBMCRLUIGXLOV-UHFFFAOYSA-N
XLogP2.54
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 167853477) is N-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CN(CCN(C)C(=O)c1ncoc1C(F)(F)F)C(=O)c1ncoc1C(F)(F)F.
What is the InChIKey of N-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JOBMCRLUIGXLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N4O4/c1-23(11(25)7-9(13(15,16)17)27-5-21-7)3-4-24(2)12(26)8-10(14(18,19)20)28-6-22-8/h5-6H,3-4H2,1-2H3.
What are the key properties of N-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 414.26 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl-[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167853477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).