(5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C15H13BrN4O3 — CID 75470517

IUPAC(5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESO=C(c1cc2cc(Br)ccc2[nH]1)N1CCOCC1c1ncon1
InChIInChI=1S/C15H13BrN4O3/c16-10-1-2-11-9(5-10)6-12(18-11)15(21)20-3-4-22-7-13(20)14-17-8-23-19-14/h1-2,5-6,8,13,18H,3-4,7H2
InChIKeyXZBXPQCZHZVBGY-UHFFFAOYSA-N
MW377.20 g/mol
LogP2.53
Rot. Bonds2

About (5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

(5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 75470517) has the molecular formula C15H13BrN4O3 and a molecular weight of 377.20 g/mol. Its IUPAC name is (5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID75470517
Molecular FormulaC15H13BrN4O3
Molecular Weight377.20 g/mol
Exact Mass376.02
IUPAC Name(5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESO=C(c1cc2cc(Br)ccc2[nH]1)N1CCOCC1c1ncon1
InChIInChI=1S/C15H13BrN4O3/c16-10-1-2-11-9(5-10)6-12(18-11)15(21)20-3-4-22-7-13(20)14-17-8-23-19-14/h1-2,5-6,8,13,18H,3-4,7H2
InChIKeyXZBXPQCZHZVBGY-UHFFFAOYSA-N
XLogP2.53
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-bromo-2-fluorophenyl)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 126779304
(3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470568
4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 124885400
4-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 124885404
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(5-bromo-1H-indol-2-yl)methanone
CID 56819225
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105506
(5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42947361
[4-(difluoromethylsulfanyl)phenyl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470522
(6-methoxy-3-pyridinyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 127772368
(4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 167825982
(2-cyclopropylquinolin-4-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470596
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 75470517) is (5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is O=C(c1cc2cc(Br)ccc2[nH]1)N1CCOCC1c1ncon1.
What is the InChIKey of (5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is XZBXPQCZHZVBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O3/c16-10-1-2-11-9(5-10)6-12(18-11)15(21)20-3-4-22-7-13(20)14-17-8-23-19-14/h1-2,5-6,8,13,18H,3-4,7H2.
What are the key properties of (5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
(5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 377.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75470517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).