5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole

C11H7FN2O — CID 137012756

IUPAC5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole
SMILESFc1ccc2oc(-c3ccc[nH]3)nc2c1
InChIInChI=1S/C11H7FN2O/c12-7-3-4-10-9(6-7)14-11(15-10)8-2-1-5-13-8/h1-6,13H
InChIKeyKISFVKAVPHCFKN-UHFFFAOYSA-N
MW202.19 g/mol
LogP2.96
Rot. Bonds1

About 5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole

5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole (PubChem CID 137012756) has the molecular formula C11H7FN2O and a molecular weight of 202.19 g/mol. Its IUPAC name is 5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole
PubChem CID137012756
Molecular FormulaC11H7FN2O
Molecular Weight202.19 g/mol
Exact Mass202.05
IUPAC Name5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole
SMILESFc1ccc2oc(-c3ccc[nH]3)nc2c1
InChIInChI=1S/C11H7FN2O/c12-7-3-4-10-9(6-7)14-11(15-10)8-2-1-5-13-8/h1-6,13H
InChIKeyKISFVKAVPHCFKN-UHFFFAOYSA-N
XLogP2.96
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-thiophen-2-yl-1,3-benzoxazole
CID 102366712
2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-5-chloro-1,3-benzoxazole
CID 163363525
2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
2-(3-fluorophenyl)-5-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]sulfanyl]-1,3-benzoxazole
CID 141112890
2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297014
5-tert-butyl-2-(2,5-difluorophenyl)-1,3-benzoxazole
CID 46089031
5-tert-butyl-2-(2,4-difluorophenyl)-1,3-benzoxazole
CID 46089030
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
5-tert-butyl-2-(3,5-difluorophenyl)-1,3-benzoxazole
CID 46089033
2-(5-fluoro-1,3-benzoxazol-2-yl)-4-nitroaniline
CID 64792865
5-fluoro-2-propyl-1,3-benzoxazole
CID 82229772
2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91676646

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole (CID 137012756) is 5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole is Fc1ccc2oc(-c3ccc[nH]3)nc2c1.
What is the InChIKey of 5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole?
The InChIKey is KISFVKAVPHCFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O/c12-7-3-4-10-9(6-7)14-11(15-10)8-2-1-5-13-8/h1-6,13H.
What are the key properties of 5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole?
5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole has a molecular weight of 202.19 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 137012756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).