N-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide

C13H11F3N4O4 — CID 164839635

IUPACN-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide
SMILESCCNC(=O)c1nnc(NC(=O)c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C13H11F3N4O4/c1-2-17-10(22)11-19-20-12(23-11)18-9(21)7-3-5-8(6-4-7)24-13(14,15)16/h3-6H,2H2,1H3,(H,17,22)(H,18,20,21)
InChIKeyKEORAJUBPVLXMI-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.97
Rot. Bonds5

About N-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide

N-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 164839635) has the molecular formula C13H11F3N4O4 and a molecular weight of 344.25 g/mol. Its IUPAC name is N-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide
PubChem CID164839635
Molecular FormulaC13H11F3N4O4
Molecular Weight344.25 g/mol
Exact Mass344.07
IUPAC NameN-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide
SMILESCCNC(=O)c1nnc(NC(=O)c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C13H11F3N4O4/c1-2-17-10(22)11-19-20-12(23-11)18-9(21)7-3-5-8(6-4-7)24-13(14,15)16/h3-6H,2H2,1H3,(H,17,22)(H,18,20,21)
InChIKeyKEORAJUBPVLXMI-UHFFFAOYSA-N
XLogP1.97
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide (CID 164839635) is N-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide is CCNC(=O)c1nnc(NC(=O)c2ccc(OC(F)(F)F)cc2)o1.
What is the InChIKey of N-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is KEORAJUBPVLXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O4/c1-2-17-10(22)11-19-20-12(23-11)18-9(21)7-3-5-8(6-4-7)24-13(14,15)16/h3-6H,2H2,1H3,(H,17,22)(H,18,20,21).
What are the key properties of N-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide?
N-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 164839635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).