3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine

C13H15F2N3O2 — CID 171767299

IUPAC3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2nc3ccc(OC(F)F)cc3o2)C1
InChIInChI=1S/C13H15F2N3O2/c14-12(15)19-9-3-4-10-11(6-9)20-13(18-10)17-8-2-1-7(16)5-8/h3-4,6-8,12H,1-2,5,16H2,(H,17,18)
InChIKeyKVLFVSZHVMCUEU-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.72
Rot. Bonds4

About 3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine

3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine (PubChem CID 171767299) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine
PubChem CID171767299
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2nc3ccc(OC(F)F)cc3o2)C1
InChIInChI=1S/C13H15F2N3O2/c14-12(15)19-9-3-4-10-11(6-9)20-13(18-10)17-8-2-1-7(16)5-8/h3-4,6-8,12H,1-2,5,16H2,(H,17,18)
InChIKeyKVLFVSZHVMCUEU-UHFFFAOYSA-N
XLogP2.72
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine (CID 171767299) is 3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine is NC1CCC(Nc2nc3ccc(OC(F)F)cc3o2)C1.
What is the InChIKey of 3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine?
The InChIKey is KVLFVSZHVMCUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c14-12(15)19-9-3-4-10-11(6-9)20-13(18-10)17-8-2-1-7(16)5-8/h3-4,6-8,12H,1-2,5,16H2,(H,17,18).
What are the key properties of 3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine?
3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine has a molecular weight of 283.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 171767299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).