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

C12H15F6N3O2 — CID 545543

IUPACN-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]-3-methylbutanamide
SMILESCc1cc(NC(NC(=O)CC(C)C)(C(F)(F)F)C(F)(F)F)no1
InChIInChI=1S/C12H15F6N3O2/c1-6(2)4-9(22)20-10(11(13,14)15,12(16,17)18)19-8-5-7(3)23-21-8/h5-6H,4H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUQVLAFNPLXZXJW-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.38
Rot. Bonds5

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

N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]-3-methylbutanamide (PubChem CID 545543) has the molecular formula C12H15F6N3O2 and a molecular weight of 347.26 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]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]-3-methylbutanamide
PubChem CID545543
Molecular FormulaC12H15F6N3O2
Molecular Weight347.26 g/mol
Exact Mass347.11
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]-3-methylbutanamide
SMILESCc1cc(NC(NC(=O)CC(C)C)(C(F)(F)F)C(F)(F)F)no1
InChIInChI=1S/C12H15F6N3O2/c1-6(2)4-9(22)20-10(11(13,14)15,12(16,17)18)19-8-5-7(3)23-21-8/h5-6H,4H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUQVLAFNPLXZXJW-UHFFFAOYSA-N
XLogP3.38
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-3-methylbutanamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]-3-methylbutanamide (CID 545543) is N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]-3-methylbutanamide.
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]-3-methylbutanamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]-3-methylbutanamide is Cc1cc(NC(NC(=O)CC(C)C)(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]-3-methylbutanamide?
The InChIKey is UQVLAFNPLXZXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F6N3O2/c1-6(2)4-9(22)20-10(11(13,14)15,12(16,17)18)19-8-5-7(3)23-21-8/h5-6H,4H2,1-3H3,(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]-3-methylbutanamide?
N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]-3-methylbutanamide has a molecular weight of 347.26 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 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]-3-methylbutanamide is sourced from PubChem (CID 545543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).