N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C16H16FN3O3 — CID 166292608

IUPACN-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2F)on1)N1CC=C(CO)CC1
InChIInChI=1S/C16H16FN3O3/c17-13-4-2-1-3-12(13)14-9-15(19-23-14)18-16(22)20-7-5-11(10-21)6-8-20/h1-5,9,21H,6-8,10H2,(H,18,19,22)
InChIKeyHALNUUUUJZIPPJ-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.64
Rot. Bonds3

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

N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 166292608) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID166292608
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC NameN-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2F)on1)N1CC=C(CO)CC1
InChIInChI=1S/C16H16FN3O3/c17-13-4-2-1-3-12(13)14-9-15(19-23-14)18-16(22)20-7-5-11(10-21)6-8-20/h1-5,9,21H,6-8,10H2,(H,18,19,22)
InChIKeyHALNUUUUJZIPPJ-UHFFFAOYSA-N
XLogP2.64
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 166292608) is N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1cc(-c2ccccc2F)on1)N1CC=C(CO)CC1.
What is the InChIKey of N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is HALNUUUUJZIPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c17-13-4-2-1-3-12(13)14-9-15(19-23-14)18-16(22)20-7-5-11(10-21)6-8-20/h1-5,9,21H,6-8,10H2,(H,18,19,22).
What are the key properties of N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 166292608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).