(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C26H23N5O2 — CID 155378444

IUPAC(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1c(-c2ccccc2)nc2occn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1
InChIInChI=1S/C26H23N5O2/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/h1-6,8-11,13,15-17,21H,7,12,14,18H2/t21-/m0/s1
InChIKeyIWTSQUPNKOHKKL-NRFANRHFSA-N
MW437.50 g/mol
LogP4.76
Rot. Bonds5

About (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 155378444) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID155378444
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1c(-c2ccccc2)nc2occn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1
InChIInChI=1S/C26H23N5O2/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/h1-6,8-11,13,15-17,21H,7,12,14,18H2/t21-/m0/s1
InChIKeyIWTSQUPNKOHKKL-NRFANRHFSA-N
XLogP4.76
TPSA68.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 155378444) is (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is O=C(c1c(-c2ccccc2)nc2occn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1.
What is the InChIKey of (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is IWTSQUPNKOHKKL-NRFANRHFSA-N. The full InChI is InChI=1S/C26H23N5O2/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/h1-6,8-11,13,15-17,21H,7,12,14,18H2/t21-/m0/s1.
What are the key properties of (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 437.50 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 155378444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).