(1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine

C16H21FN2O3S — CID 97334343

IUPAC(1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCC(C)c1ocnc1CN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C16H21FN2O3S/c1-10(2)16-14(19-9-22-16)8-18-11(3)12-5-6-15(13(17)7-12)23(4,20)21/h5-7,9-11,18H,8H2,1-4H3/t11-/m1/s1
InChIKeyWJTOTVHPAXXRCC-LLVKDONJSA-N
MW340.42 g/mol
LogP3.19
Rot. Bonds6

About (1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine

(1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine (PubChem CID 97334343) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
PubChem CID97334343
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name(1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCC(C)c1ocnc1CN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C16H21FN2O3S/c1-10(2)16-14(19-9-22-16)8-18-11(3)12-5-6-15(13(17)7-12)23(4,20)21/h5-7,9-11,18H,8H2,1-4H3/t11-/m1/s1
InChIKeyWJTOTVHPAXXRCC-LLVKDONJSA-N
XLogP3.19
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 86789525
(2S)-2-(4-chlorophenoxy)-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]propan-1-amine
CID 166227994
N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 75443084
N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide
CID 84598986
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]butanamide;hydrochloride
CID 119801244
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide
CID 71989210
(2S)-2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylbutanamide
CID 119333678
3,3-diethoxy-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]propanamide
CID 102562820
2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide
CID 119801243
methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate
CID 124640418
(2S)-2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119801231
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide
CID 119951982

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine (CID 97334343) is (1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine is CC(C)c1ocnc1CN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of (1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The InChIKey is WJTOTVHPAXXRCC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-10(2)16-14(19-9-22-16)8-18-11(3)12-5-6-15(13(17)7-12)23(4,20)21/h5-7,9-11,18H,8H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
(1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine has a molecular weight of 340.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 97334343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).