2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole

C14H16FN3O — CID 22495796

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole
SMILESFc1ccc2oc(N3CCN4CCC3CC4)nc2c1
InChIInChI=1S/C14H16FN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2
InChIKeyCNFWMFUCRRCFNB-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.25
Rot. Bonds1

About 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole (PubChem CID 22495796) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole
PubChem CID22495796
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole
SMILESFc1ccc2oc(N3CCN4CCC3CC4)nc2c1
InChIInChI=1S/C14H16FN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2
InChIKeyCNFWMFUCRRCFNB-UHFFFAOYSA-N
XLogP2.25
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
Benzoxazole, 2-amino-5-fluoro-
CID 15516
N-methyl-1,3-benzoxazol-2-amine
CID 590605
4-Benzoxazo-2-yl-1,4-diazabicyclo[3.2.2]nonane
CID 9794818
CP-810123
CID 11184481
1-[4-(1,3-Benzoxazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 1504182
N-[5-(3-methoxypropyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]-1,3-benzoxazol-2-amine
CID 2003439
N-(2-fluorophenyl)-1,3-benzoxazol-2-amine
CID 1505210
2-(Morpholin-4-yl)-1,3-benzoxazole
CID 589769
Oxadimedine
CID 167465

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole (CID 22495796) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole is Fc1ccc2oc(N3CCN4CCC3CC4)nc2c1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole?
The InChIKey is CNFWMFUCRRCFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole has a molecular weight of 261.30 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-fluoro-1,3-benzoxazole is sourced from PubChem (CID 22495796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).