1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol

C12H12N2O2 — CID 115112305

IUPAC1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol
SMILESNc1cc(-c2ccccc2C2(O)CC2)no1
InChIInChI=1S/C12H12N2O2/c13-11-7-10(14-16-11)8-3-1-2-4-9(8)12(15)5-6-12/h1-4,7,15H,5-6,13H2
InChIKeyVYAJTVCPJLAFAA-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.91
Rot. Bonds2

About 1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol

1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol (PubChem CID 115112305) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol
PubChem CID115112305
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol
SMILESNc1cc(-c2ccccc2C2(O)CC2)no1
InChIInChI=1S/C12H12N2O2/c13-11-7-10(14-16-11)8-3-1-2-4-9(8)12(15)5-6-12/h1-4,7,15H,5-6,13H2
InChIKeyVYAJTVCPJLAFAA-UHFFFAOYSA-N
XLogP1.91
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol (CID 115112305) is 1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol is Nc1cc(-c2ccccc2C2(O)CC2)no1.
What is the InChIKey of 1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol?
The InChIKey is VYAJTVCPJLAFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-11-7-10(14-16-11)8-3-1-2-4-9(8)12(15)5-6-12/h1-4,7,15H,5-6,13H2.
What are the key properties of 1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol?
1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol has a molecular weight of 216.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 115112305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).