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

C19H18FN5O3 — CID 58541756

IUPAC(2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol
SMILESC[C@H](O)[C@H](CO)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C19H18FN5O3/c1-11(27)15(10-26)23-18-21-7-6-14(22-18)17-16(12-2-4-13(20)5-3-12)24-19-25(17)8-9-28-19/h2-9,11,15,26-27H,10H2,1H3,(H,21,22,23)/t11-,15-/m0/s1
InChIKeyFRWGWYFYVPDRKO-NHYWBVRUSA-N
MW383.38 g/mol
LogP2.34
Rot. Bonds6

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

(2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol (PubChem CID 58541756) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is (2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol.

Molecular Properties

Compound Name(2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol
PubChem CID58541756
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name(2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol
SMILESC[C@H](O)[C@H](CO)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C19H18FN5O3/c1-11(27)15(10-26)23-18-21-7-6-14(22-18)17-16(12-2-4-13(20)5-3-12)24-19-25(17)8-9-28-19/h2-9,11,15,26-27H,10H2,1H3,(H,21,22,23)/t11-,15-/m0/s1
InChIKeyFRWGWYFYVPDRKO-NHYWBVRUSA-N
XLogP2.34
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol?
The IUPAC name of (2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol (CID 58541756) is (2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol.
What is the SMILES notation for (2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol?
The canonical SMILES for (2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol is C[C@H](O)[C@H](CO)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1.
What is the InChIKey of (2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol?
The InChIKey is FRWGWYFYVPDRKO-NHYWBVRUSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-11(27)15(10-26)23-18-21-7-6-14(22-18)17-16(12-2-4-13(20)5-3-12)24-19-25(17)8-9-28-19/h2-9,11,15,26-27H,10H2,1H3,(H,21,22,23)/t11-,15-/m0/s1.
What are the key properties of (2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol?
(2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol has a molecular weight of 383.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol is sourced from PubChem (CID 58541756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).