N-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide

C14H11ClF3N3O2 — CID 162376880

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2oncc2C1
InChIInChI=1S/C14H11ClF3N3O2/c15-11-2-1-9(5-10(11)14(16,17)18)20-13(22)21-4-3-12-8(7-21)6-19-23-12/h1-2,5-6H,3-4,7H2,(H,20,22)
InChIKeyHLESTYZNQFDMID-UHFFFAOYSA-N
MW345.71 g/mol
LogP3.94
Rot. Bonds1

About N-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 162376880) has the molecular formula C14H11ClF3N3O2 and a molecular weight of 345.71 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
PubChem CID162376880
Molecular FormulaC14H11ClF3N3O2
Molecular Weight345.71 g/mol
Exact Mass345.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2oncc2C1
InChIInChI=1S/C14H11ClF3N3O2/c15-11-2-1-9(5-10(11)14(16,17)18)20-13(22)21-4-3-12-8(7-21)6-19-23-12/h1-2,5-6H,3-4,7H2,(H,20,22)
InChIKeyHLESTYZNQFDMID-UHFFFAOYSA-N
XLogP3.94
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide (CID 162376880) is N-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2oncc2C1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is HLESTYZNQFDMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O2/c15-11-2-1-9(5-10(11)14(16,17)18)20-13(22)21-4-3-12-8(7-21)6-19-23-12/h1-2,5-6H,3-4,7H2,(H,20,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 345.71 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 162376880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).