3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide

C25H20ClFN4O2 — CID 25033876

IUPAC3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccc(F)cc4Cl)no3)ccc21
InChIInChI=1S/C25H20ClFN4O2/c1-2-31-21-6-4-3-5-17(21)19-14-16(8-10-22(19)31)28-23(32)11-12-24-29-25(30-33-24)18-9-7-15(27)13-20(18)26/h3-10,13-14H,2,11-12H2,1H3,(H,28,32)
InChIKeyVXLOUNWARGZFRH-UHFFFAOYSA-N
MW462.91 g/mol
LogP6.23
Rot. Bonds6

About 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide

3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide (PubChem CID 25033876) has the molecular formula C25H20ClFN4O2 and a molecular weight of 462.91 g/mol. Its IUPAC name is 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide
PubChem CID25033876
Molecular FormulaC25H20ClFN4O2
Molecular Weight462.91 g/mol
Exact Mass462.13
IUPAC Name3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccc(F)cc4Cl)no3)ccc21
InChIInChI=1S/C25H20ClFN4O2/c1-2-31-21-6-4-3-5-17(21)19-14-16(8-10-22(19)31)28-23(32)11-12-24-29-25(30-33-24)18-9-7-15(27)13-20(18)26/h3-10,13-14H,2,11-12H2,1H3,(H,28,32)
InChIKeyVXLOUNWARGZFRH-UHFFFAOYSA-N
XLogP6.23
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.91
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
3-(3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl)-N-(9-ethyl-9H-carbazol-3-yl)propanamide
CID 25033875
3-(3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl)-N-(9-ethyl-9H-carbazol-3-yl)propanamide
CID 25034136
N-(9-ethyl-9H-carbazol-3-yl)-3-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propanamide
CID 25034137
3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 25034139
N-[3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]quinolin-6-amine
CID 44586999
3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-hydroxyethyl)carbazol-3-yl]propanamide
CID 72696659

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
The IUPAC name of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide (CID 25033876) is 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide.
What is the SMILES notation for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
The canonical SMILES for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide is CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccc(F)cc4Cl)no3)ccc21.
What is the InChIKey of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
The InChIKey is VXLOUNWARGZFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4O2/c1-2-31-21-6-4-3-5-17(21)19-14-16(8-10-22(19)31)28-23(32)11-12-24-29-25(30-33-24)18-9-7-15(27)13-20(18)26/h3-10,13-14H,2,11-12H2,1H3,(H,28,32).
What are the key properties of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide has a molecular weight of 462.91 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide is sourced from PubChem (CID 25033876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).