(5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone

C18H13BrN2O2 — CID 99697107

IUPAC(5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone
SMILESO=C(c1coc(-c2ccccc2)n1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C18H13BrN2O2/c19-14-6-7-16-13(10-14)8-9-21(16)18(22)15-11-23-17(20-15)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2
InChIKeyUQFHGCCEHVYBQX-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.31
Rot. Bonds2

About (5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone

(5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone (PubChem CID 99697107) has the molecular formula C18H13BrN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is (5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone
PubChem CID99697107
Molecular FormulaC18H13BrN2O2
Molecular Weight369.22 g/mol
Exact Mass368.02
IUPAC Name(5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone
SMILESO=C(c1coc(-c2ccccc2)n1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C18H13BrN2O2/c19-14-6-7-16-13(10-14)8-9-21(16)18(22)15-11-23-17(20-15)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2
InChIKeyUQFHGCCEHVYBQX-UHFFFAOYSA-N
XLogP4.31
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone (CID 99697107) is (5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for (5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for (5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone is O=C(c1coc(-c2ccccc2)n1)N1CCc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone?
The InChIKey is UQFHGCCEHVYBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O2/c19-14-6-7-16-13(10-14)8-9-21(16)18(22)15-11-23-17(20-15)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2.
What are the key properties of (5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone?
(5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone has a molecular weight of 369.22 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydroindol-1-yl)-(2-phenyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 99697107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).