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

C17H17F3N4O3 — CID 46968495

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
SMILESCCc1cc(CNC(=O)c2ccc(Cn3nc(C(F)(F)F)cc3C)o2)on1
InChIInChI=1S/C17H17F3N4O3/c1-3-11-7-13(27-23-11)8-21-16(25)14-5-4-12(26-14)9-24-10(2)6-15(22-24)17(18,19)20/h4-7H,3,8-9H2,1-2H3,(H,21,25)
InChIKeyQIPBQXKGSRIKED-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.33
Rot. Bonds6

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

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide (PubChem CID 46968495) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
PubChem CID46968495
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
SMILESCCc1cc(CNC(=O)c2ccc(Cn3nc(C(F)(F)F)cc3C)o2)on1
InChIInChI=1S/C17H17F3N4O3/c1-3-11-7-13(27-23-11)8-21-16(25)14-5-4-12(26-14)9-24-10(2)6-15(22-24)17(18,19)20/h4-7H,3,8-9H2,1-2H3,(H,21,25)
InChIKeyQIPBQXKGSRIKED-UHFFFAOYSA-N
XLogP3.33
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide (CID 46968495) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide is CCc1cc(CNC(=O)c2ccc(Cn3nc(C(F)(F)F)cc3C)o2)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The InChIKey is QIPBQXKGSRIKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-3-11-7-13(27-23-11)8-21-16(25)14-5-4-12(26-14)9-24-10(2)6-15(22-24)17(18,19)20/h4-7H,3,8-9H2,1-2H3,(H,21,25).
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 46968495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).