N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide

C12H9F6N3O3 — CID 658481

IUPACN-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)no1
InChIInChI=1S/C12H9F6N3O3/c1-6-5-8(21-24-6)19-10(11(13,14)15,12(16,17)18)20-9(22)7-3-2-4-23-7/h2-5H,1H3,(H,19,21)(H,20,22)
InChIKeyLFYGZYKWHJAVIT-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.24
Rot. Bonds4

About N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide

N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide (PubChem CID 658481) has the molecular formula C12H9F6N3O3 and a molecular weight of 357.21 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide
PubChem CID658481
Molecular FormulaC12H9F6N3O3
Molecular Weight357.21 g/mol
Exact Mass357.05
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)no1
InChIInChI=1S/C12H9F6N3O3/c1-6-5-8(21-24-6)19-10(11(13,14)15,12(16,17)18)20-9(22)7-3-2-4-23-7/h2-5H,1H3,(H,19,21)(H,20,22)
InChIKeyLFYGZYKWHJAVIT-UHFFFAOYSA-N
XLogP3.24
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide (CID 658481) is N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide is Cc1cc(NC(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)no1.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide?
The InChIKey is LFYGZYKWHJAVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F6N3O3/c1-6-5-8(21-24-6)19-10(11(13,14)15,12(16,17)18)20-9(22)7-3-2-4-23-7/h2-5H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide?
N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide has a molecular weight of 357.21 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 658481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).