2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine

C20H21FN6O — CID 58541655

IUPAC2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C20H21FN6O/c1-13(12-26(2)3)23-19-22-9-8-16(24-19)18-17(14-4-6-15(21)7-5-14)25-20-27(18)10-11-28-20/h4-11,13H,12H2,1-3H3,(H,22,23,24)
InChIKeyARSJCFYIKDGTBB-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.55
Rot. Bonds6

About 2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 58541655) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID58541655
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C20H21FN6O/c1-13(12-26(2)3)23-19-22-9-8-16(24-19)18-17(14-4-6-15(21)7-5-14)25-20-27(18)10-11-28-20/h4-11,13H,12H2,1-3H3,(H,22,23,24)
InChIKeyARSJCFYIKDGTBB-UHFFFAOYSA-N
XLogP3.55
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 58541655) is 2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1.
What is the InChIKey of 2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is ARSJCFYIKDGTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-13(12-26(2)3)23-19-22-9-8-16(24-19)18-17(14-4-6-15(21)7-5-14)25-20-27(18)10-11-28-20/h4-11,13H,12H2,1-3H3,(H,22,23,24).
What are the key properties of 2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 380.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 58541655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).