N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine

C21H23FN2O — CID 112818351

IUPACN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCc2coc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C21H23FN2O/c1-14(2)16-7-9-17(10-8-16)15(3)23-12-20-13-25-21(24-20)18-5-4-6-19(22)11-18/h4-11,13-15,23H,12H2,1-3H3
InChIKeyFDUVDSMMWRRXQG-UHFFFAOYSA-N
MW338.43 g/mol
LogP5.45
Rot. Bonds6

About N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine

N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 112818351) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID112818351
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCc2coc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C21H23FN2O/c1-14(2)16-7-9-17(10-8-16)15(3)23-12-20-13-25-21(24-20)18-5-4-6-19(22)11-18/h4-11,13-15,23H,12H2,1-3H3
InChIKeyFDUVDSMMWRRXQG-UHFFFAOYSA-N
XLogP5.45
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methylphenyl)methanamine
CID 56661858
N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 56675613
4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]aniline
CID 43299130
3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084370
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine
CID 56662465
(2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide
CID 94025619
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline
CID 56682804
1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 115084321
N-[(6-methyl-2-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 62321412
4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 33352859
1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 112812779

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine (CID 112818351) is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(C)NCc2coc(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is FDUVDSMMWRRXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-14(2)16-7-9-17(10-8-16)15(3)23-12-20-13-25-21(24-20)18-5-4-6-19(22)11-18/h4-11,13-15,23H,12H2,1-3H3.
What are the key properties of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine?
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 338.43 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 112818351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).