ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate

C14H13FN2O3 — CID 103496481

IUPACethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCc3ccc(F)cc32)n1
InChIInChI=1S/C14H13FN2O3/c1-2-19-13(18)11-8-20-14(16-11)17-6-5-9-3-4-10(15)7-12(9)17/h3-4,7-8H,2,5-6H2,1H3
InChIKeyUIWLMKQMOMTFJG-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.68
Rot. Bonds3

About ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate

ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate (PubChem CID 103496481) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate
PubChem CID103496481
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCc3ccc(F)cc32)n1
InChIInChI=1S/C14H13FN2O3/c1-2-19-13(18)11-8-20-14(16-11)17-6-5-9-3-4-10(15)7-12(9)17/h3-4,7-8H,2,5-6H2,1H3
InChIKeyUIWLMKQMOMTFJG-UHFFFAOYSA-N
XLogP2.68
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate
CID 113377396
ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate
CID 162733993
ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 142693900
ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 70707727
ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091
2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-2-methylbutanethioamide
CID 103495616
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid
CID 103496467
ethyl 2-[(3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-1,3-oxazole-4-carboxylate
CID 68967253
[2-(6-fluoro-2,3-dihydroindol-1-yl)-6-methyl-4-pyridinyl]methanol
CID 103501402
2-[[5-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 103501289
methyl 3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoate
CID 103501354
ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 70704972

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate (CID 103496481) is ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CCc3ccc(F)cc32)n1.
What is the InChIKey of ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is UIWLMKQMOMTFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-2-19-13(18)11-8-20-14(16-11)17-6-5-9-3-4-10(15)7-12(9)17/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate?
ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 276.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 103496481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).