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

C12H14N2O2 — CID 82472063

IUPAC5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
SMILESCC(C)Oc1ccc(-c2cc(N)no2)cc1
InChIInChI=1S/C12H14N2O2/c1-8(2)15-10-5-3-9(4-6-10)11-7-12(13)14-16-11/h3-8H,1-2H3,(H2,13,14)
InChIKeyYDSVQTSEHBWHCH-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.71
Rot. Bonds3

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

5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine (PubChem CID 82472063) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
PubChem CID82472063
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
SMILESCC(C)Oc1ccc(-c2cc(N)no2)cc1
InChIInChI=1S/C12H14N2O2/c1-8(2)15-10-5-3-9(4-6-10)11-7-12(13)14-16-11/h3-8H,1-2H3,(H2,13,14)
InChIKeyYDSVQTSEHBWHCH-UHFFFAOYSA-N
XLogP2.71
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine (CID 82472063) is 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine is CC(C)Oc1ccc(-c2cc(N)no2)cc1.
What is the InChIKey of 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is YDSVQTSEHBWHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(2)15-10-5-3-9(4-6-10)11-7-12(13)14-16-11/h3-8H,1-2H3,(H2,13,14).
What are the key properties of 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 218.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 82472063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).