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

C17H13F3N2O3 — CID 48731441

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)on1
InChIInChI=1S/C17H13F3N2O3/c1-10-7-13(25-22-10)9-21-16(23)15-6-5-14(24-15)11-3-2-4-12(8-11)17(18,19)20/h2-8H,9H2,1H3,(H,21,23)
InChIKeyHXRLWWLDGQFXLS-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.19
Rot. Bonds4

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

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 48731441) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID48731441
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)on1
InChIInChI=1S/C17H13F3N2O3/c1-10-7-13(25-22-10)9-21-16(23)15-6-5-14(24-15)11-3-2-4-12(8-11)17(18,19)20/h2-8H,9H2,1H3,(H,21,23)
InChIKeyHXRLWWLDGQFXLS-UHFFFAOYSA-N
XLogP4.19
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone
CID 39979245
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26713686
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 24560469
N-[[3-fluoro-4-(methanesulfonamido)-5-methylphenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 44603252
N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 86888462
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46401276
5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 87974537
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 32584893
N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 31150878
N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 39513052
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 48731441) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is Cc1cc(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is HXRLWWLDGQFXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-10-7-13(25-22-10)9-21-16(23)15-6-5-14(24-15)11-3-2-4-12(8-11)17(18,19)20/h2-8H,9H2,1H3,(H,21,23).
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 350.30 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 48731441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).