3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide

C25H20BrFN4O3 — CID 72696659

IUPAC3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2Br)no1)Nc1ccc2c(c1)c1ccccc1n2CCO
InChIInChI=1S/C25H20BrFN4O3/c26-20-13-15(27)5-7-18(20)25-29-24(34-30-25)10-9-23(33)28-16-6-8-22-19(14-16)17-3-1-2-4-21(17)31(22)11-12-32/h1-8,13-14,32H,9-12H2,(H,28,33)
InChIKeyNXDJTNCIWLJTFQ-UHFFFAOYSA-N
MW523.36 g/mol
LogP5.31
Rot. Bonds7

About 3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide

3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide (PubChem CID 72696659) has the molecular formula C25H20BrFN4O3 and a molecular weight of 523.36 g/mol. Its IUPAC name is 3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide
PubChem CID72696659
Molecular FormulaC25H20BrFN4O3
Molecular Weight523.36 g/mol
Exact Mass522.07
IUPAC Name3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2Br)no1)Nc1ccc2c(c1)c1ccccc1n2CCO
InChIInChI=1S/C25H20BrFN4O3/c26-20-13-15(27)5-7-18(20)25-29-24(34-30-25)10-9-23(33)28-16-6-8-22-19(14-16)17-3-1-2-4-21(17)31(22)11-12-32/h1-8,13-14,32H,9-12H2,(H,28,33)
InChIKeyNXDJTNCIWLJTFQ-UHFFFAOYSA-N
XLogP5.31
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.36
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-(2-Cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-N-(9-ethyl-9H-carbazol-3-yl)propanamide
CID 25033938
3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-N-(9-ethyl-9H-carbazol-3-yl)propanamide
CID 25033876
N-(9-Ethyl-9H-carbazol-3-yl)-3-(3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl)propanamide
CID 25033939
N-(9-Ethyl-9H-carbazol-3-yl)-3-(3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl)propanamide
CID 25034138
N-(9-ethyl-9H-carbazol-3-yl)-3-(3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl)propanamide
CID 22431127
N-(9-Ethyl-9H-carbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 25033873
N-(9-Ethyl-9H-carbazol-3-yl)-3-(3-(2-isopropylphenyl)-1,2,4-oxadiazol-5-yl)propanamide
CID 25033874
N-(9-ethyl-9H-carbazol-3-yl)-3-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propanamide
CID 25034137
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide
CID 72696786
3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide
CID 72696789
3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-hydroxypropyl)carbazol-3-yl]propanamide
CID 72696921
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-hydroxypropyl)carbazol-3-yl]propanamide
CID 72696922

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide?
The IUPAC name of 3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide (CID 72696659) is 3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide.
What is the SMILES notation for 3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide?
The canonical SMILES for 3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide is O=C(CCc1nc(-c2ccc(F)cc2Br)no1)Nc1ccc2c(c1)c1ccccc1n2CCO.
What is the InChIKey of 3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide?
The InChIKey is NXDJTNCIWLJTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrFN4O3/c26-20-13-15(27)5-7-18(20)25-29-24(34-30-25)10-9-23(33)28-16-6-8-22-19(14-16)17-3-1-2-4-21(17)31(22)11-12-32/h1-8,13-14,32H,9-12H2,(H,28,33).
What are the key properties of 3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide?
3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide has a molecular weight of 523.36 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide is sourced from PubChem (CID 72696659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).