3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine

C12H13FN2O2 — CID 82476360

IUPAC3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
SMILESCC(C)Oc1ccc(-c2cc(N)on2)cc1F
InChIInChI=1S/C12H13FN2O2/c1-7(2)16-11-4-3-8(5-9(11)13)10-6-12(14)17-15-10/h3-7H,14H2,1-2H3
InChIKeyXHPNSINSAHUAMI-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.85
Rot. Bonds3

About 3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine

3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine (PubChem CID 82476360) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
PubChem CID82476360
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
SMILESCC(C)Oc1ccc(-c2cc(N)on2)cc1F
InChIInChI=1S/C12H13FN2O2/c1-7(2)16-11-4-3-8(5-9(11)13)10-6-12(14)17-15-10/h3-7H,14H2,1-2H3
InChIKeyXHPNSINSAHUAMI-UHFFFAOYSA-N
XLogP2.85
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine (CID 82476360) is 3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine is CC(C)Oc1ccc(-c2cc(N)on2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is XHPNSINSAHUAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-7(2)16-11-4-3-8(5-9(11)13)10-6-12(14)17-15-10/h3-7H,14H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine?
3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 236.25 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 82476360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).