1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine

C15H19FN2OS — CID 106922206

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)C(Sc1nc(C)c(C)o1)c1ccccc1F
InChIInChI=1S/C15H19FN2OS/c1-4-13(17)14(11-7-5-6-8-12(11)16)20-15-18-9(2)10(3)19-15/h5-8,13-14H,4,17H2,1-3H3
InChIKeyIMPYKSQASKIEBN-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.00
Rot. Bonds5

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine

1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine (PubChem CID 106922206) has the molecular formula C15H19FN2OS and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine
PubChem CID106922206
Molecular FormulaC15H19FN2OS
Molecular Weight294.40 g/mol
Exact Mass294.12
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)C(Sc1nc(C)c(C)o1)c1ccccc1F
InChIInChI=1S/C15H19FN2OS/c1-4-13(17)14(11-7-5-6-8-12(11)16)20-15-18-9(2)10(3)19-15/h5-8,13-14H,4,17H2,1-3H3
InChIKeyIMPYKSQASKIEBN-UHFFFAOYSA-N
XLogP4.00
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106922077
1-(2-fluorophenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79325822
3-[2-amino-1-(2-fluorophenyl)butyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 62884773
1-(4-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106922037
1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 65043474
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine
CID 106922262
1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine
CID 106923307
1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine
CID 106923251
methyl 3-[2-amino-1-(2-fluorophenyl)butyl]sulfanylpropanoate
CID 55018705
1-(2-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
CID 55019046
1-(2-chlorophenyl)-1-(2,5-dimethylphenyl)sulfanylbutan-2-amine
CID 63538245

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine (CID 106922206) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine is CCC(N)C(Sc1nc(C)c(C)o1)c1ccccc1F.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine?
The InChIKey is IMPYKSQASKIEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-4-13(17)14(11-7-5-6-8-12(11)16)20-15-18-9(2)10(3)19-15/h5-8,13-14H,4,17H2,1-3H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine has a molecular weight of 294.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine is sourced from PubChem (CID 106922206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).