5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine

C12H12N2O2 — CID 117307996

IUPAC5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccccc2OC2CC2)on1
InChIInChI=1S/C12H12N2O2/c13-12-7-11(16-14-12)9-3-1-2-4-10(9)15-8-5-6-8/h1-4,7-8H,5-6H2,(H2,13,14)
InChIKeyWEIXQXDZGLBTFM-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.46
Rot. Bonds3

About 5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine

5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117307996) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
PubChem CID117307996
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccccc2OC2CC2)on1
InChIInChI=1S/C12H12N2O2/c13-12-7-11(16-14-12)9-3-1-2-4-10(9)15-8-5-6-8/h1-4,7-8H,5-6H2,(H2,13,14)
InChIKeyWEIXQXDZGLBTFM-UHFFFAOYSA-N
XLogP2.46
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine (CID 117307996) is 5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine is Nc1cc(-c2ccccc2OC2CC2)on1.
What is the InChIKey of 5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is WEIXQXDZGLBTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-12-7-11(16-14-12)9-3-1-2-4-10(9)15-8-5-6-8/h1-4,7-8H,5-6H2,(H2,13,14).
What are the key properties of 5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine?
5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 216.24 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117307996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).