[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone

C18H14FN3O2 — CID 146220486

IUPAC[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(F)cn2)on1)N1CC(c2ccccc2)C1
InChIInChI=1S/C18H14FN3O2/c19-14-6-7-15(20-9-14)17-8-16(21-24-17)18(23)22-10-13(11-22)12-4-2-1-3-5-12/h1-9,13H,10-11H2
InChIKeyYUHHIMVJGVOQJM-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.12
Rot. Bonds3

About [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone

[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone (PubChem CID 146220486) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
PubChem CID146220486
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(F)cn2)on1)N1CC(c2ccccc2)C1
InChIInChI=1S/C18H14FN3O2/c19-14-6-7-15(20-9-14)17-8-16(21-24-17)18(23)22-10-13(11-22)12-4-2-1-3-5-12/h1-9,13H,10-11H2
InChIKeyYUHHIMVJGVOQJM-UHFFFAOYSA-N
XLogP3.12
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678041
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(1H-pyrrol-2-yl)piperazin-2-one
CID 68158217
N-[(3S,4S)-1-cyclohexyl-3-(pyridin-2-ylmethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677967
N-[(3R,4R)-1-cyclohexyl-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677971
N-[(3S,4S)-1-cyclohexyl-3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677978
N-[(3S,4S)-1-cyclohexyl-3-(2-pyridin-2-ylethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678009
N-[(3S,4S)-1-cyclohexyl-3-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678115
N-[(3R,4R)-1-cyclohexyl-3-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678130
N-[(3S,4S)-1-cyclohexyl-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678136

Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
The IUPAC name of [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone (CID 146220486) is [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone.
What is the SMILES notation for [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
The canonical SMILES for [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone is O=C(c1cc(-c2ccc(F)cn2)on1)N1CC(c2ccccc2)C1.
What is the InChIKey of [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
The InChIKey is YUHHIMVJGVOQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-14-6-7-15(20-9-14)17-8-16(21-24-17)18(23)22-10-13(11-22)12-4-2-1-3-5-12/h1-9,13H,10-11H2.
What are the key properties of [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone has a molecular weight of 323.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone is sourced from PubChem (CID 146220486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).