N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine

C20H21FN2O — CID 56677220

IUPACN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H21FN2O/c1-15(7-8-16-5-3-2-4-6-16)22-13-19-14-24-20(23-19)17-9-11-18(21)12-10-17/h2-6,9-12,14-15,22H,7-8,13H2,1H3
InChIKeyRAABXBCWDGGCAP-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.59
Rot. Bonds7

About N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine

N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine (PubChem CID 56677220) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine
PubChem CID56677220
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H21FN2O/c1-15(7-8-16-5-3-2-4-6-16)22-13-19-14-24-20(23-19)17-9-11-18(21)12-10-17/h2-6,9-12,14-15,22H,7-8,13H2,1H3
InChIKeyRAABXBCWDGGCAP-UHFFFAOYSA-N
XLogP4.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine
CID 56682845
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56671971
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
CID 46220080
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 112812779
(1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine
CID 100706017
3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468509
N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide
CID 55746214
N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine
CID 56683848

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine (CID 56677220) is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine is CC(CCc1ccccc1)NCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine?
The InChIKey is RAABXBCWDGGCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-15(7-8-16-5-3-2-4-6-16)22-13-19-14-24-20(23-19)17-9-11-18(21)12-10-17/h2-6,9-12,14-15,22H,7-8,13H2,1H3.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine?
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine has a molecular weight of 324.40 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 56677220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).