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

C23H20F3N5O2 — CID 155378521

IUPAC(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1c(-c2ccccc2)nc2occn12)N1CCC[C@H]1CNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)16-8-9-18(27-13-16)28-14-17-7-4-10-30(17)21(32)20-19(15-5-2-1-3-6-15)29-22-31(20)11-12-33-22/h1-3,5-6,8-9,11-13,17H,4,7,10,14H2,(H,27,28)/t17-/m0/s1
InChIKeyCCHIZWYQKWJBHM-KRWDZBQOSA-N
MW455.44 g/mol
LogP4.72
Rot. Bonds5

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

(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 155378521) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone
PubChem CID155378521
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1c(-c2ccccc2)nc2occn12)N1CCC[C@H]1CNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)16-8-9-18(27-13-16)28-14-17-7-4-10-30(17)21(32)20-19(15-5-2-1-3-6-15)29-22-31(20)11-12-33-22/h1-3,5-6,8-9,11-13,17H,4,7,10,14H2,(H,27,28)/t17-/m0/s1
InChIKeyCCHIZWYQKWJBHM-KRWDZBQOSA-N
XLogP4.72
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
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-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone (CID 155378521) is (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone is O=C(c1c(-c2ccccc2)nc2occn12)N1CCC[C@H]1CNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is CCHIZWYQKWJBHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c24-23(25,26)16-8-9-18(27-13-16)28-14-17-7-4-10-30(17)21(32)20-19(15-5-2-1-3-6-15)29-22-31(20)11-12-33-22/h1-3,5-6,8-9,11-13,17H,4,7,10,14H2,(H,27,28)/t17-/m0/s1.
What are the key properties of (6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone?
(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 455.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 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-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 155378521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).