N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C15H20F3N3O2 — CID 131960917

IUPACN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCc1noc(CC)c1CNC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O2/c1-3-12-11(13(4-2)23-20-12)9-19-14(22)21-7-5-10(6-8-21)15(16,17)18/h5H,3-4,6-9H2,1-2H3,(H,19,22)
InChIKeyNUUBADQPQUEICZ-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.20
Rot. Bonds4

About N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 131960917) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID131960917
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCc1noc(CC)c1CNC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O2/c1-3-12-11(13(4-2)23-20-12)9-19-14(22)21-7-5-10(6-8-21)15(16,17)18/h5H,3-4,6-9H2,1-2H3,(H,19,22)
InChIKeyNUUBADQPQUEICZ-UHFFFAOYSA-N
XLogP3.20
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 131960917) is N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CCc1noc(CC)c1CNC(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is NUUBADQPQUEICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-3-12-11(13(4-2)23-20-12)9-19-14(22)21-7-5-10(6-8-21)15(16,17)18/h5H,3-4,6-9H2,1-2H3,(H,19,22).
What are the key properties of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 131960917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).