2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole

C11H9FN2O — CID 145057906

IUPAC2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc2[nH]c(C3=NCCO3)cc2c1
InChIInChI=1S/C11H9FN2O/c12-8-1-2-9-7(5-8)6-10(14-9)11-13-3-4-15-11/h1-2,5-6,14H,3-4H2
InChIKeyCZSFXWGKQIYSHI-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.08
Rot. Bonds1

About 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole

2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 145057906) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID145057906
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc2[nH]c(C3=NCCO3)cc2c1
InChIInChI=1S/C11H9FN2O/c12-8-1-2-9-7(5-8)6-10(14-9)11-13-3-4-15-11/h1-2,5-6,14H,3-4H2
InChIKeyCZSFXWGKQIYSHI-UHFFFAOYSA-N
XLogP2.08
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 102025465
(4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 70701912
methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 11780297
2-(2,4-difluorophenyl)-5-fluoro-1H-indole
CID 131887083
2-(2-bromophenyl)-5-fluoro-1H-indole
CID 131887074
2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine
CID 70697609
2-(2,4,6-trifluorophenyl)-4,5-dihydro-1,3-oxazole
CID 102025466
5-(5-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985649
6-chloro-2-(5-fluoro-1H-indol-2-yl)pyridin-3-ol
CID 90333492
2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine
CID 141361859
4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine
CID 135461250
3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136985646

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole (CID 145057906) is 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole is Fc1ccc2[nH]c(C3=NCCO3)cc2c1.
What is the InChIKey of 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is CZSFXWGKQIYSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-8-1-2-9-7(5-8)6-10(14-9)11-13-3-4-15-11/h1-2,5-6,14H,3-4H2.
What are the key properties of 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole?
2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 204.20 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 145057906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).