6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride

C52H49ClN10O5 — CID 167640774

About 6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride

6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride (PubChem CID 167640774) has the molecular formula C52H49ClN10O5 and a molecular weight of 929.48 g/mol. Its IUPAC name is 6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride.

Molecular Properties

• Compound Name: 6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride
• PubChem CID: 167640774
• Molecular Formula: C52H49ClN10O5
• Molecular Weight: 929.48 g/mol
• Exact Mass: 928.36
• IUPAC Name: 6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride
• SMILES: Cl.O=C(O)c1c(-c2ccccc2)nc2occn12.O=C(c1c(-c2ccccc2)nc2occn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1.c1ccc(-c2ccn(C[C@@H]3CCCN3)n2)cc1
• InChI: InChI=1S/C26H23N5O2.C14H17N3.C12H8N2O3.ClH/c32-25(24-23(20-10-5-2-6-11-20)27-26-31(24)16-17-33-26)30-14-7-12-21(30)18-29-15-13-22(28-29)19-8-3-1-4-9-19;1-2-5-12(6-3-1)14-8-10-17(16-14)11-13-7-4-9-15-13;15-11(16)10-9(8-4-2-1-3-5-8)13-12-14(10)6-7-17-12;/h1-6,8-11,13,15-17,21H,7,12,14,18H2;1-3,5-6,8,10,13,15H,4,7,9,11H2;1-7H,(H,15,16);1H/t21-;13-;;/m00../s1
• InChIKey: KTRAEDNUHGIVEC-GTTJWZJWSA-N
• XLogP: 9.78
• TPSA: 166.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	929.48
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride?

The IUPAC name of 6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride (CID 167640774) is 6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride.

What is the SMILES notation for 6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride?

The canonical SMILES for 6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride is Cl.O=C(O)c1c(-c2ccccc2)nc2occn12.O=C(c1c(-c2ccccc2)nc2occn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1.c1ccc(-c2ccn(C[C@@H]3CCCN3)n2)cc1.

What is the InChIKey of 6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride?

The InChIKey is KTRAEDNUHGIVEC-GTTJWZJWSA-N. The full InChI is InChI=1S/C26H23N5O2.C14H17N3.C12H8N2O3.ClH/c32-25(24-23(20-10-5-2-6-11-20)27-26-31(24)16-17-33-26)30-14-7-12-21(30)18-29-15-13-22(28-29)19-8-3-1-4-9-19;1-2-5-12(6-3-1)14-8-10-17(16-14)11-13-7-4-9-15-13;15-11(16)10-9(8-4-2-1-3-5-8)13-12-14(10)6-7-17-12;/h1-6,8-11,13,15-17,21H,7,12,14,18H2;1-3,5-6,8,10,13,15H,4,7,9,11H2;1-7H,(H,15,16);1H/t21-;13-;;/m00../s1.

What are the key properties of 6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride?

6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride has a molecular weight of 929.48 g/mol, XLogP of 9.78, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenylimidazo[2,1-b][1,3]oxazole-5-carboxylic acid;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrochloride is sourced from PubChem (CID 167640774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).