[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

C139H119N19O19 — CID 158071562

IUPAC[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
SMILESN#Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3)no2)cc1.N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3)no2)c1.N#Cc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2ccccc2)no1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1C1CC1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1COCC1c1ccccc1.O=C(c1cc(-c2ccccn2)on1)N1CCC[C@H]1c1ccccc1.O=C(c1cc(-c2cccnc2)on1)N1CCC[C@H]1c1ccccc1
InChIInChI=1S/3C21H17N3O2.C20H16N2O5.2C19H17N3O2.C18H18N2O4/c22-14-15-6-4-9-17(12-15)20-13-18(23-26-20)21(25)24-11-5-10-19(24)16-7-2-1-3-8-16;22-14-16-9-4-5-10-17(16)20-13-18(23-26-20)21(25)24-12-6-11-19(24)15-7-2-1-3-8-15;22-14-15-8-10-17(11-9-15)20-13-18(23-26-20)21(25)24-12-4-7-19(24)16-5-2-1-3-6-16;23-20(22-11-24-10-16(22)13-4-2-1-3-5-13)15-9-18(27-21-15)14-6-7-17-19(8-14)26-12-25-17;23-19(16-12-18(24-21-16)15-8-4-10-20-13-15)22-11-5-9-17(22)14-6-2-1-3-7-14;23-19(16-13-18(24-21-16)15-9-4-5-11-20-15)22-12-6-10-17(22)14-7-2-1-3-8-14;21-18(20-7-1-2-14(20)11-3-4-11)13-9-16(24-19-13)12-5-6-15-17(8-12)23-10-22-15/h1-4,6-9,12-13,19H,5,10-11H2;1-5,7-10,13,19H,6,11-12H2;1-3,5-6,8-11,13,19H,4,7,12H2;1-9,16H,10-12H2;1-4,6-8,10,12-13,17H,5,9,11H2;1-5,7-9,11,13,17H,6,10,12H2;5-6,8-9,11,14H,1-4,7,10H2/t3*19-;;2*17-;/m000.00./s1
InChIKeyFLWNHDIQBGOVRP-IPTZOSEWSA-N
MW2359.59 g/mol
LogP26.33
Rot. Bonds21

About [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (PubChem CID 158071562) has the molecular formula C139H119N19O19 and a molecular weight of 2359.59 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
PubChem CID158071562
Molecular FormulaC139H119N19O19
Molecular Weight2359.59 g/mol
Exact Mass2357.89
IUPAC Name[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
SMILESN#Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3)no2)cc1.N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3)no2)c1.N#Cc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2ccccc2)no1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1C1CC1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1COCC1c1ccccc1.O=C(c1cc(-c2ccccn2)on1)N1CCC[C@H]1c1ccccc1.O=C(c1cc(-c2cccnc2)on1)N1CCC[C@H]1c1ccccc1
InChIInChI=1S/3C21H17N3O2.C20H16N2O5.2C19H17N3O2.C18H18N2O4/c22-14-15-6-4-9-17(12-15)20-13-18(23-26-20)21(25)24-11-5-10-19(24)16-7-2-1-3-8-16;22-14-16-9-4-5-10-17(16)20-13-18(23-26-20)21(25)24-12-6-11-19(24)15-7-2-1-3-8-15;22-14-15-8-10-17(11-9-15)20-13-18(23-26-20)21(25)24-12-4-7-19(24)16-5-2-1-3-6-16;23-20(22-11-24-10-16(22)13-4-2-1-3-5-13)15-9-18(27-21-15)14-6-7-17-19(8-14)26-12-25-17;23-19(16-12-18(24-21-16)15-8-4-10-20-13-15)22-11-5-9-17(22)14-6-2-1-3-7-14;23-19(16-13-18(24-21-16)15-9-4-5-11-20-15)22-12-6-10-17(22)14-7-2-1-3-8-14;21-18(20-7-1-2-14(20)11-3-4-11)13-9-16(24-19-13)12-5-6-15-17(8-12)23-10-22-15/h1-4,6-9,12-13,19H,5,10-11H2;1-5,7-10,13,19H,6,11-12H2;1-3,5-6,8-11,13,19H,4,7,12H2;1-9,16H,10-12H2;1-4,6-8,10,12-13,17H,5,9,11H2;1-5,7-9,11,13,17H,6,10,12H2;5-6,8-9,11,14H,1-4,7,10H2/t3*19-;;2*17-;/m000.00./s1
InChIKeyFLWNHDIQBGOVRP-IPTZOSEWSA-N
XLogP26.33
TPSA467.68 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002359.59
LogP ≤ 526.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (CID 158071562) is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is N#Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3)no2)cc1.N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3)no2)c1.N#Cc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2ccccc2)no1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1C1CC1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1COCC1c1ccccc1.O=C(c1cc(-c2ccccn2)on1)N1CCC[C@H]1c1ccccc1.O=C(c1cc(-c2cccnc2)on1)N1CCC[C@H]1c1ccccc1.
What is the InChIKey of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is FLWNHDIQBGOVRP-IPTZOSEWSA-N. The full InChI is InChI=1S/3C21H17N3O2.C20H16N2O5.2C19H17N3O2.C18H18N2O4/c22-14-15-6-4-9-17(12-15)20-13-18(23-26-20)21(25)24-11-5-10-19(24)16-7-2-1-3-8-16;22-14-16-9-4-5-10-17(16)20-13-18(23-26-20)21(25)24-12-6-11-19(24)15-7-2-1-3-8-15;22-14-15-8-10-17(11-9-15)20-13-18(23-26-20)21(25)24-12-4-7-19(24)16-5-2-1-3-6-16;23-20(22-11-24-10-16(22)13-4-2-1-3-5-13)15-9-18(27-21-15)14-6-7-17-19(8-14)26-12-25-17;23-19(16-12-18(24-21-16)15-8-4-10-20-13-15)22-11-5-9-17(22)14-6-2-1-3-7-14;23-19(16-13-18(24-21-16)15-9-4-5-11-20-15)22-12-6-10-17(22)14-7-2-1-3-8-14;21-18(20-7-1-2-14(20)11-3-4-11)13-9-16(24-19-13)12-5-6-15-17(8-12)23-10-22-15/h1-4,6-9,12-13,19H,5,10-11H2;1-5,7-10,13,19H,6,11-12H2;1-3,5-6,8-11,13,19H,4,7,12H2;1-9,16H,10-12H2;1-4,6-8,10,12-13,17H,5,9,11H2;1-5,7-9,11,13,17H,6,10,12H2;5-6,8-9,11,14H,1-4,7,10H2/t3*19-;;2*17-;/m000.00./s1.
What are the key properties of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 2359.59 g/mol, XLogP of 26.33, 21 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-cyclopropylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-phenyl-1,3-oxazolidin-3-yl)methanone;2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;3-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 158071562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).