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

C18H14ClN3O2 — CID 146220554

IUPAC[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(Cl)cn2)on1)N1CC(c2ccccc2)C1
InChIInChI=1S/C18H14ClN3O2/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
InChIKeyVXKPHGDXQWIXKS-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.63
Rot. Bonds3

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

[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone (PubChem CID 146220554) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is [5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
PubChem CID146220554
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(Cl)cn2)on1)N1CC(c2ccccc2)C1
InChIInChI=1S/C18H14ClN3O2/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
InChIKeyVXKPHGDXQWIXKS-UHFFFAOYSA-N
XLogP3.63
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,4-Dichlorophenyl)-5-isoxazolyl]pyridine
CID 2726998
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
N-(2-chloropyridin-3-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3586460
5-(4-chlorophenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 15988868
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 1093818
5-(4-chlorophenyl)-N-(2-chloropyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 5003875
5-(3-chlorophenyl)-N-3-pyridinyl-3-isoxazolecarboxamide
CID 15988901
[2-[6-(3-Chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56670439
[2-[6-(3-Chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56683902
5-(2-Chloro-phenyl)-isoxazole-3-carboxylic acid (pyridin-2-ylmethyl)-amide
CID 1093875
5-(3-chlorophenyl)-N-(2-chloropyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 3674831

Frequently Asked Questions

What is the IUPAC name of [5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
The IUPAC name of [5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone (CID 146220554) is [5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone.
What is the SMILES notation for [5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
The canonical SMILES for [5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone is O=C(c1cc(-c2ccc(Cl)cn2)on1)N1CC(c2ccccc2)C1.
What is the InChIKey of [5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
The InChIKey is VXKPHGDXQWIXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/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-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone has a molecular weight of 339.78 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone is sourced from PubChem (CID 146220554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).