[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide

C95H77ClF2N14O14 — CID 158003294

About [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide (PubChem CID 158003294) has the molecular formula C95H77ClF2N14O14 and a molecular weight of 1712.19 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide.

Molecular Properties

• Compound Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide
• PubChem CID: 158003294
• Molecular Formula: C95H77ClF2N14O14
• Molecular Weight: 1712.19 g/mol
• Exact Mass: 1710.54
• IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide
• SMILES: COc1ccc(-c2cc(C(=O)N3CC(c4ccccc4)C3)no2)nc1.O=C(NC1CN(C(=O)c2cc(-c3ccccc3)on2)C1)c1ccccc1.O=C(c1cc(-c2ccc(Cl)cn2)on1)N1CC(c2ccccc2)C1.O=C(c1cc(-c2ccc(F)cn2)on1)N1CC(c2ccccc2)C1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CC(c2cccc(F)c2)C1
• InChI: InChI=1S/C20H15FN2O4.C20H17N3O3.C19H17N3O3.C18H14ClN3O2.C18H14FN3O2/c21-15-3-1-2-12(6-15)14-9-23(10-14)20(24)16-8-18(27-22-16)13-4-5-17-19(7-13)26-11-25-17;24-19(15-9-5-2-6-10-15)21-16-12-23(13-16)20(25)17-11-18(26-22-17)14-7-3-1-4-8-14;1-24-15-7-8-16(20-10-15)18-9-17(21-25-18)19(23)22-11-14(12-22)13-5-3-2-4-6-13;2*19-14-6-7-15(20-9-14)17-8-16(21-24-17)18(23)22-10-13(11-22)12-4-2-1-3-5-12/h1-8,14H,9-11H2;1-11,16H,12-13H2,(H,21,24);2-10,14H,11-12H2,1H3;2*1-9,13H,10-11H2
• InChIKey: FDZJAUUWEKVFJY-UHFFFAOYSA-N
• XLogP: 15.77
• TPSA: 327.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1712.19
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide?

The IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide (CID 158003294) is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide.

What is the SMILES notation for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide?

The canonical SMILES for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide is COc1ccc(-c2cc(C(=O)N3CC(c4ccccc4)C3)no2)nc1.O=C(NC1CN(C(=O)c2cc(-c3ccccc3)on2)C1)c1ccccc1.O=C(c1cc(-c2ccc(Cl)cn2)on1)N1CC(c2ccccc2)C1.O=C(c1cc(-c2ccc(F)cn2)on1)N1CC(c2ccccc2)C1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CC(c2cccc(F)c2)C1.

What is the InChIKey of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide?

The InChIKey is FDZJAUUWEKVFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4.C20H17N3O3.C19H17N3O3.C18H14ClN3O2.C18H14FN3O2/c21-15-3-1-2-12(6-15)14-9-23(10-14)20(24)16-8-18(27-22-16)13-4-5-17-19(7-13)26-11-25-17;24-19(15-9-5-2-6-10-15)21-16-12-23(13-16)20(25)17-11-18(26-22-17)14-7-3-1-4-8-14;1-24-15-7-8-16(20-10-15)18-9-17(21-25-18)19(23)22-11-14(12-22)13-5-3-2-4-6-13;2*19-14-6-7-15(20-9-14)17-8-16(21-24-17)18(23)22-10-13(11-22)12-4-2-1-3-5-12/h1-8,14H,9-11H2;1-11,16H,12-13H2,(H,21,24);2-10,14H,11-12H2,1H3;2*1-9,13H,10-11H2.

What are the key properties of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide?

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide has a molecular weight of 1712.19 g/mol, XLogP of 15.77, 17 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(3-fluorophenyl)azetidin-1-yl]methanone;[5-(5-chloro-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;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]benzamide is sourced from PubChem (CID 158003294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).