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

C25H21ClN4O2 — CID 25034136

IUPAC3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccccc4Cl)no3)ccc21
InChIInChI=1S/C25H21ClN4O2/c1-2-30-21-10-6-4-7-17(21)19-15-16(11-12-22(19)30)27-23(31)13-14-24-28-25(29-32-24)18-8-3-5-9-20(18)26/h3-12,15H,2,13-14H2,1H3,(H,27,31)
InChIKeySHTUJXZMNFQBJY-UHFFFAOYSA-N
MW444.92 g/mol
LogP6.09
Rot. Bonds6

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

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide (PubChem CID 25034136) has the molecular formula C25H21ClN4O2 and a molecular weight of 444.92 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide
PubChem CID25034136
Molecular FormulaC25H21ClN4O2
Molecular Weight444.92 g/mol
Exact Mass444.14
IUPAC Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccccc4Cl)no3)ccc21
InChIInChI=1S/C25H21ClN4O2/c1-2-30-21-10-6-4-7-17(21)19-15-16(11-12-22(19)30)27-23(31)13-14-24-28-25(29-32-24)18-8-3-5-9-20(18)26/h3-12,15H,2,13-14H2,1H3,(H,27,31)
InChIKeySHTUJXZMNFQBJY-UHFFFAOYSA-N
XLogP6.09
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 56.09
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
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
3-(3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl)-N-(9-ethyl-9H-carbazol-3-yl)propanamide
CID 25033875
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
The IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide (CID 25034136) is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
The canonical SMILES for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide is CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccccc4Cl)no3)ccc21.
What is the InChIKey of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
The InChIKey is SHTUJXZMNFQBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2/c1-2-30-21-10-6-4-7-17(21)19-15-16(11-12-22(19)30)27-23(31)13-14-24-28-25(29-32-24)18-8-3-5-9-20(18)26/h3-12,15H,2,13-14H2,1H3,(H,27,31).
What are the key properties of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide has a molecular weight of 444.92 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide is sourced from PubChem (CID 25034136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).