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

C22H25FN6O — CID 11338778

IUPACN'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C22H25FN6O/c1-22(2,14-28(3)4)13-25-20-24-10-9-17(26-20)19-18(15-5-7-16(23)8-6-15)27-21-29(19)11-12-30-21/h5-12H,13-14H2,1-4H3,(H,24,25,26)
InChIKeyCDZPSYGUMJXDLL-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.19
Rot. Bonds7

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

N'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 11338778) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is N'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID11338778
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC NameN'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C22H25FN6O/c1-22(2,14-28(3)4)13-25-20-24-10-9-17(26-20)19-18(15-5-7-16(23)8-6-15)27-21-29(19)11-12-30-21/h5-12H,13-14H2,1-4H3,(H,24,25,26)
InChIKeyCDZPSYGUMJXDLL-UHFFFAOYSA-N
XLogP4.19
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine (CID 11338778) is N'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1.
What is the InChIKey of N'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is CDZPSYGUMJXDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-22(2,14-28(3)4)13-25-20-24-10-9-17(26-20)19-18(15-5-7-16(23)8-6-15)27-21-29(19)11-12-30-21/h5-12H,13-14H2,1-4H3,(H,24,25,26).
What are the key properties of N'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 408.48 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 11338778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).