3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine

C14H17FN2O — CID 117373692

IUPAC3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine
SMILESCCC(CC)c1ccc(-c2cc(N)on2)cc1F
InChIInChI=1S/C14H17FN2O/c1-3-9(4-2)11-6-5-10(7-12(11)15)13-8-14(16)18-17-13/h5-9H,3-4,16H2,1-2H3
InChIKeyIPNXTXNJVSLLES-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.97
Rot. Bonds4

About 3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine

3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 117373692) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine
PubChem CID117373692
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine
SMILESCCC(CC)c1ccc(-c2cc(N)on2)cc1F
InChIInChI=1S/C14H17FN2O/c1-3-9(4-2)11-6-5-10(7-12(11)15)13-8-14(16)18-17-13/h5-9H,3-4,16H2,1-2H3
InChIKeyIPNXTXNJVSLLES-UHFFFAOYSA-N
XLogP3.97
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine (CID 117373692) is 3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine is CCC(CC)c1ccc(-c2cc(N)on2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is IPNXTXNJVSLLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-9(4-2)11-6-5-10(7-12(11)15)13-8-14(16)18-17-13/h5-9H,3-4,16H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine?
3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 248.30 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117373692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).