1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine

C8H13FN2O — CID 84766268

IUPAC1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C(C)(C)F)o1
InChIInChI=1S/C8H13FN2O/c1-5(10)7-11-4-6(12-7)8(2,3)9/h4-5H,10H2,1-3H3
InChIKeyIZXZOIOTLMDYCO-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.90
Rot. Bonds2

About 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine

1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 84766268) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID84766268
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C(C)(C)F)o1
InChIInChI=1S/C8H13FN2O/c1-5(10)7-11-4-6(12-7)8(2,3)9/h4-5H,10H2,1-3H3
InChIKeyIZXZOIOTLMDYCO-UHFFFAOYSA-N
XLogP1.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 131036465
5-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 84764000
5-tert-butyl-2-[(1R)-1-chloroethyl]-1,3-oxazole
CID 93105065
(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 138039801
1-[5-(2-methoxyethyl)-1,3-oxazol-2-yl]ethanamine
CID 65179175
1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179063
1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]ethanamine
CID 65178744
(1S)-1-(1,3-oxazol-2-yl)ethanamine
CID 28924825
1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179061
N-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181793
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 107952706

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine (CID 84766268) is 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine is CC(N)c1ncc(C(C)(C)F)o1.
What is the InChIKey of 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is IZXZOIOTLMDYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-5(10)7-11-4-6(12-7)8(2,3)9/h4-5H,10H2,1-3H3.
What are the key properties of 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 172.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 84766268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).