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

C19H19FN6O2 — CID 70831715

IUPAC1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-[(2S)-1-methoxypropan-2-yl]hydrazine
SMILESCOC[C@H](C)N(N)c1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C19H19FN6O2/c1-12(11-27-2)26(21)18-22-8-7-15(23-18)17-16(13-3-5-14(20)6-4-13)24-19-25(17)9-10-28-19/h3-10,12H,11,21H2,1-2H3/t12-/m0/s1
InChIKeyPFZLZLJXAFMUKN-LBPRGKRZSA-N
MW382.40 g/mol
LogP2.91
Rot. Bonds6

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

1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-[(2S)-1-methoxypropan-2-yl]hydrazine (PubChem CID 70831715) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-[(2S)-1-methoxypropan-2-yl]hydrazine.

Molecular Properties

Compound Name1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-[(2S)-1-methoxypropan-2-yl]hydrazine
PubChem CID70831715
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-[(2S)-1-methoxypropan-2-yl]hydrazine
SMILESCOC[C@H](C)N(N)c1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C19H19FN6O2/c1-12(11-27-2)26(21)18-22-8-7-15(23-18)17-16(13-3-5-14(20)6-4-13)24-19-25(17)9-10-28-19/h3-10,12H,11,21H2,1-2H3/t12-/m0/s1
InChIKeyPFZLZLJXAFMUKN-LBPRGKRZSA-N
XLogP2.91
TPSA94.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-[(2S)-1-methoxypropan-2-yl]hydrazine?
The IUPAC name of 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-[(2S)-1-methoxypropan-2-yl]hydrazine (CID 70831715) is 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-[(2S)-1-methoxypropan-2-yl]hydrazine.
What is the SMILES notation for 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-[(2S)-1-methoxypropan-2-yl]hydrazine?
The canonical SMILES for 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-[(2S)-1-methoxypropan-2-yl]hydrazine is COC[C@H](C)N(N)c1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1.
What is the InChIKey of 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-[(2S)-1-methoxypropan-2-yl]hydrazine?
The InChIKey is PFZLZLJXAFMUKN-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-12(11-27-2)26(21)18-22-8-7-15(23-18)17-16(13-3-5-14(20)6-4-13)24-19-25(17)9-10-28-19/h3-10,12H,11,21H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-[(2S)-1-methoxypropan-2-yl]hydrazine?
1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-[(2S)-1-methoxypropan-2-yl]hydrazine has a molecular weight of 382.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-[(2S)-1-methoxypropan-2-yl]hydrazine is sourced from PubChem (CID 70831715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).