N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide

C15H10F3N3O3 — CID 83278485

IUPACN-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccco1
InChIInChI=1S/C15H10F3N3O3/c16-15(17,18)10-4-1-3-9(7-10)13-20-12(24-21-13)8-19-14(22)11-5-2-6-23-11/h1-7H,8H2,(H,19,22)
InChIKeyLSHXSNWVFAGCPL-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.28
Rot. Bonds4

About N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide

N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 83278485) has the molecular formula C15H10F3N3O3 and a molecular weight of 337.26 g/mol. Its IUPAC name is N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
PubChem CID83278485
Molecular FormulaC15H10F3N3O3
Molecular Weight337.26 g/mol
Exact Mass337.07
IUPAC NameN-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccco1
InChIInChI=1S/C15H10F3N3O3/c16-15(17,18)10-4-1-3-9(7-10)13-20-12(24-21-13)8-19-14(22)11-5-2-6-23-11/h1-7H,8H2,(H,19,22)
InChIKeyLSHXSNWVFAGCPL-UHFFFAOYSA-N
XLogP3.28
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 3-(furan-2-carbonylamino)propanoate
CID 55494441
N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 53139190
N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 87029316
1,1-difluoro-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346960
2-chloro-N-(furan-2-ylmethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 42808948
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 6472271
N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 171682383
N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83275000
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46401276
2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 55897568
N-methyl-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347519
4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (CID 83278485) is N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is O=C(NCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccco1.
What is the InChIKey of N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is LSHXSNWVFAGCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3/c16-15(17,18)10-4-1-3-9(7-10)13-20-12(24-21-13)8-19-14(22)11-5-2-6-23-11/h1-7H,8H2,(H,19,22).
What are the key properties of N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 337.26 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 83278485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).