5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide

C14H12F3N5O4 — CID 90541394

IUPAC5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCn1c(C(F)(F)F)nn(CCNC(=O)c2cc(-c3ccco3)on2)c1=O
InChIInChI=1S/C14H12F3N5O4/c1-21-12(14(15,16)17)19-22(13(21)24)5-4-18-11(23)8-7-10(26-20-8)9-3-2-6-25-9/h2-3,6-7H,4-5H2,1H3,(H,18,23)
InChIKeyHXGQEMFMXBDSOG-UHFFFAOYSA-N
MW371.28 g/mol
LogP1.28
Rot. Bonds5

About 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 90541394) has the molecular formula C14H12F3N5O4 and a molecular weight of 371.28 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID90541394
Molecular FormulaC14H12F3N5O4
Molecular Weight371.28 g/mol
Exact Mass371.08
IUPAC Name5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCn1c(C(F)(F)F)nn(CCNC(=O)c2cc(-c3ccco3)on2)c1=O
InChIInChI=1S/C14H12F3N5O4/c1-21-12(14(15,16)17)19-22(13(21)24)5-4-18-11(23)8-7-10(26-20-8)9-3-2-6-25-9/h2-3,6-7H,4-5H2,1H3,(H,18,23)
InChIKeyHXGQEMFMXBDSOG-UHFFFAOYSA-N
XLogP1.28
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]prop-2-enamide
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5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 166135908
5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
CID 110357164
5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 39514484
5-(furan-2-yl)-N-[2-(3-methoxypyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 166135914
N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
CID 90541527
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
3-(2-chlorophenyl)-5-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide
CID 90541516
2-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-5-nitrobenzamide
CID 90541476
5-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 24739766
N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119571702

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide (CID 90541394) is 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide is Cn1c(C(F)(F)F)nn(CCNC(=O)c2cc(-c3ccco3)on2)c1=O.
What is the InChIKey of 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HXGQEMFMXBDSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O4/c1-21-12(14(15,16)17)19-22(13(21)24)5-4-18-11(23)8-7-10(26-20-8)9-3-2-6-25-9/h2-3,6-7H,4-5H2,1H3,(H,18,23).
What are the key properties of 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 371.28 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90541394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).