3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine

C9H15FN2O — CID 122239897

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine
SMILESCNCC(F)Cc1c(C)noc1C
InChIInChI=1S/C9H15FN2O/c1-6-9(7(2)13-12-6)4-8(10)5-11-3/h8,11H,4-5H2,1-3H3
InChIKeyUKEFSZUOFUWRCU-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.39
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine

3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine (PubChem CID 122239897) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine
PubChem CID122239897
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine
SMILESCNCC(F)Cc1c(C)noc1C
InChIInChI=1S/C9H15FN2O/c1-6-9(7(2)13-12-6)4-8(10)5-11-3/h8,11H,4-5H2,1-3H3
InChIKeyUKEFSZUOFUWRCU-UHFFFAOYSA-N
XLogP1.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylheptan-2-amine
CID 43183570
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine
CID 115722279
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093
(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
CID 79241777
2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride
CID 170892789
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
CID 92845870
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine
CID 97047825
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
(3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide
CID 79242568
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43210207

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine (CID 122239897) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine is CNCC(F)Cc1c(C)noc1C.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine?
The InChIKey is UKEFSZUOFUWRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-6-9(7(2)13-12-6)4-8(10)5-11-3/h8,11H,4-5H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine has a molecular weight of 186.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine is sourced from PubChem (CID 122239897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).