(2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide

C24H19FN6O2 — CID 58541774

IUPAC(2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide
SMILESNC(=O)[C@H](Cc1ccccc1)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C24H19FN6O2/c25-17-8-6-16(7-9-17)20-21(31-12-13-33-24(31)30-20)18-10-11-27-23(28-18)29-19(22(26)32)14-15-4-2-1-3-5-15/h1-13,19H,14H2,(H2,26,32)(H,27,28,29)/t19-/m0/s1
InChIKeyPOZBWRAMYWBGMP-IBGZPJMESA-N
MW442.45 g/mol
LogP3.70
Rot. Bonds7

About (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide

(2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide (PubChem CID 58541774) has the molecular formula C24H19FN6O2 and a molecular weight of 442.45 g/mol. Its IUPAC name is (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide
PubChem CID58541774
Molecular FormulaC24H19FN6O2
Molecular Weight442.45 g/mol
Exact Mass442.16
IUPAC Name(2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide
SMILESNC(=O)[C@H](Cc1ccccc1)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C24H19FN6O2/c25-17-8-6-16(7-9-17)20-21(31-12-13-33-24(31)30-20)18-10-11-27-23(28-18)29-19(22(26)32)14-15-4-2-1-3-5-15/h1-13,19H,14H2,(H2,26,32)(H,27,28,29)/t19-/m0/s1
InChIKeyPOZBWRAMYWBGMP-IBGZPJMESA-N
XLogP3.70
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide (CID 58541774) is (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide is NC(=O)[C@H](Cc1ccccc1)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1.
What is the InChIKey of (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide?
The InChIKey is POZBWRAMYWBGMP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H19FN6O2/c25-17-8-6-16(7-9-17)20-21(31-12-13-33-24(31)30-20)18-10-11-27-23(28-18)29-19(22(26)32)14-15-4-2-1-3-5-15/h1-13,19H,14H2,(H2,26,32)(H,27,28,29)/t19-/m0/s1.
What are the key properties of (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide?
(2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide has a molecular weight of 442.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide is sourced from PubChem (CID 58541774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).