[5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine

C15H18N2O2 — CID 82483490

IUPAC[5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(-c2ccc(OC3CCCC3)cc2)on1
InChIInChI=1S/C15H18N2O2/c16-10-12-9-15(19-17-12)11-5-7-14(8-6-11)18-13-3-1-2-4-13/h5-9,13H,1-4,10,16H2
InChIKeyKBJQNEQQARABCM-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.12
Rot. Bonds4

About [5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine

[5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 82483490) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine
PubChem CID82483490
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(-c2ccc(OC3CCCC3)cc2)on1
InChIInChI=1S/C15H18N2O2/c16-10-12-9-15(19-17-12)11-5-7-14(8-6-11)18-13-3-1-2-4-13/h5-9,13H,1-4,10,16H2
InChIKeyKBJQNEQQARABCM-UHFFFAOYSA-N
XLogP3.12
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine (CID 82483490) is [5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine is NCc1cc(-c2ccc(OC3CCCC3)cc2)on1.
What is the InChIKey of [5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is KBJQNEQQARABCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-10-12-9-15(19-17-12)11-5-7-14(8-6-11)18-13-3-1-2-4-13/h5-9,13H,1-4,10,16H2.
What are the key properties of [5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine?
[5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 82483490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).