N-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide

C19H22FN3O3 — CID 90965796

IUPACN-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCCCCC(=O)N1CC(F)C1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C19H22FN3O3/c20-15-11-23(12-15)17(24)9-5-2-6-10-21-18(25)16-13-26-19(22-16)14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,21,25)
InChIKeyRGDSODDDNBDSHN-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.81
Rot. Bonds8

About N-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide

N-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 90965796) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID90965796
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCCCCC(=O)N1CC(F)C1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C19H22FN3O3/c20-15-11-23(12-15)17(24)9-5-2-6-10-21-18(25)16-13-26-19(22-16)14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,21,25)
InChIKeyRGDSODDDNBDSHN-UHFFFAOYSA-N
XLogP2.81
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-(2-pyrrolidin-3-ylethyl)-1,3-oxazole-4-carboxamide
CID 119538139
N-[(5S)-5-amino-6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 11603464
2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3847962
2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide
CID 159322008
2-phenyl-N-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 119390406
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 120659449
2-(2-aminophenyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3295381
2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3721367
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119542389
N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120651572
N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 111437218
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 90965796) is N-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide is O=C(NCCCCCC(=O)N1CC(F)C1)c1coc(-c2ccccc2)n1.
What is the InChIKey of N-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is RGDSODDDNBDSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c20-15-11-23(12-15)17(24)9-5-2-6-10-21-18(25)16-13-26-19(22-16)14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,21,25).
What are the key properties of N-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide?
N-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90965796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).