N-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine

C19H20FN5OS — CID 142976358

IUPACN-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine
SMILESCCSCCNC1N=CC=C(c2c(-c3ccc(F)cc3)nc3occn23)N1
InChIInChI=1S/C19H20FN5OS/c1-2-27-12-9-22-18-21-8-7-15(23-18)17-16(13-3-5-14(20)6-4-13)24-19-25(17)10-11-26-19/h3-8,10-11,18,22-23H,2,9,12H2,1H3
InChIKeyVOZSDCZQBFFWCC-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.37
Rot. Bonds7

About N-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine

N-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine (PubChem CID 142976358) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine
PubChem CID142976358
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC NameN-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine
SMILESCCSCCNC1N=CC=C(c2c(-c3ccc(F)cc3)nc3occn23)N1
InChIInChI=1S/C19H20FN5OS/c1-2-27-12-9-22-18-21-8-7-15(23-18)17-16(13-3-5-14(20)6-4-13)24-19-25(17)10-11-26-19/h3-8,10-11,18,22-23H,2,9,12H2,1H3
InChIKeyVOZSDCZQBFFWCC-UHFFFAOYSA-N
XLogP3.37
TPSA66.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine?
The IUPAC name of N-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine (CID 142976358) is N-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine is CCSCCNC1N=CC=C(c2c(-c3ccc(F)cc3)nc3occn23)N1.
What is the InChIKey of N-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine?
The InChIKey is VOZSDCZQBFFWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c1-2-27-12-9-22-18-21-8-7-15(23-18)17-16(13-3-5-14(20)6-4-13)24-19-25(17)10-11-26-19/h3-8,10-11,18,22-23H,2,9,12H2,1H3.
What are the key properties of N-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine?
N-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine has a molecular weight of 385.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-amine is sourced from PubChem (CID 142976358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).