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

C16H20N2O — CID 117394464

IUPAC3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cccc(C3CCCCCC3)c2)no1
InChIInChI=1S/C16H20N2O/c17-16-11-15(18-19-16)14-9-5-8-13(10-14)12-6-3-1-2-4-7-12/h5,8-12H,1-4,6-7,17H2
InChIKeyGUXYUTGKHUTTTL-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.36
Rot. Bonds2

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

3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine (PubChem CID 117394464) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine
PubChem CID117394464
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cccc(C3CCCCCC3)c2)no1
InChIInChI=1S/C16H20N2O/c17-16-11-15(18-19-16)14-9-5-8-13(10-14)12-6-3-1-2-4-7-12/h5,8-12H,1-4,6-7,17H2
InChIKeyGUXYUTGKHUTTTL-UHFFFAOYSA-N
XLogP4.36
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine (CID 117394464) is 3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine is Nc1cc(-c2cccc(C3CCCCCC3)c2)no1.
What is the InChIKey of 3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine?
The InChIKey is GUXYUTGKHUTTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-16-11-15(18-19-16)14-9-5-8-13(10-14)12-6-3-1-2-4-7-12/h5,8-12H,1-4,6-7,17H2.
What are the key properties of 3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine?
3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine has a molecular weight of 256.35 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117394464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).