2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone

C18H16BrFN4O3 — CID 71802692

IUPAC2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)N1CCOCC1
InChIInChI=1S/C18H16BrFN4O3/c19-13-10-12(3-4-14(13)20)17-21-18(27-22-17)15-2-1-5-24(15)11-16(25)23-6-8-26-9-7-23/h1-5,10H,6-9,11H2
InChIKeyLUINAGYYKJDCNI-UHFFFAOYSA-N
MW435.25 g/mol
LogP2.97
Rot. Bonds4

About 2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone

2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 71802692) has the molecular formula C18H16BrFN4O3 and a molecular weight of 435.25 g/mol. Its IUPAC name is 2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone
PubChem CID71802692
Molecular FormulaC18H16BrFN4O3
Molecular Weight435.25 g/mol
Exact Mass434.04
IUPAC Name2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)N1CCOCC1
InChIInChI=1S/C18H16BrFN4O3/c19-13-10-12(3-4-14(13)20)17-21-18(27-22-17)15-2-1-5-24(15)11-16(25)23-6-8-26-9-7-23/h1-5,10H,6-9,11H2
InChIKeyLUINAGYYKJDCNI-UHFFFAOYSA-N
XLogP2.97
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone
CID 53037463
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
CID 50925960
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82802431
2-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 45032454
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 82788331
2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50754150
2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid
CID 94069111
1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 46266743
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
N-benzyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
CID 75527035
[3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50779040
2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone
CID 113242520

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone (CID 71802692) is 2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone is O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)N1CCOCC1.
What is the InChIKey of 2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is LUINAGYYKJDCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4O3/c19-13-10-12(3-4-14(13)20)17-21-18(27-22-17)15-2-1-5-24(15)11-16(25)23-6-8-26-9-7-23/h1-5,10H,6-9,11H2.
What are the key properties of 2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone?
2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 435.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 71802692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).