N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine

C21H21FN4O — CID 18693327

IUPACN-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(CNC2=NCCN2)on1
InChIInChI=1S/C21H21FN4O/c1-14(20-12-17(27-26-20)13-25-21-23-9-10-24-21)16-7-8-18(19(22)11-16)15-5-3-2-4-6-15/h2-8,11-12,14H,9-10,13H2,1H3,(H2,23,24,25)
InChIKeyPHOBYJNBMHRYJP-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.68
Rot. Bonds5

About N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine

N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 18693327) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID18693327
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(CNC2=NCCN2)on1
InChIInChI=1S/C21H21FN4O/c1-14(20-12-17(27-26-20)13-25-21-23-9-10-24-21)16-7-8-18(19(22)11-16)15-5-3-2-4-6-15/h2-8,11-12,14H,9-10,13H2,1H3,(H2,23,24,25)
InChIKeyPHOBYJNBMHRYJP-UHFFFAOYSA-N
XLogP3.68
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 18693327) is N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine is CC(c1ccc(-c2ccccc2)c(F)c1)c1cc(CNC2=NCCN2)on1.
What is the InChIKey of N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is PHOBYJNBMHRYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14(20-12-17(27-26-20)13-25-21-23-9-10-24-21)16-7-8-18(19(22)11-16)15-5-3-2-4-6-15/h2-8,11-12,14H,9-10,13H2,1H3,(H2,23,24,25).
What are the key properties of N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 364.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 18693327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).