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

C26H23FN4O2 — CID 25034138

IUPACN-(9-ethylcarbazol-3-yl)-3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccc(F)cc4C)no3)ccc21
InChIInChI=1S/C26H23FN4O2/c1-3-31-22-7-5-4-6-20(22)21-15-18(9-11-23(21)31)28-24(32)12-13-25-29-26(30-33-25)19-10-8-17(27)14-16(19)2/h4-11,14-15H,3,12-13H2,1-2H3,(H,28,32)
InChIKeySSHGXSSBOQFBGD-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.88
Rot. Bonds6

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

N-(9-ethylcarbazol-3-yl)-3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 25034138) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID25034138
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC NameN-(9-ethylcarbazol-3-yl)-3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccc(F)cc4C)no3)ccc21
InChIInChI=1S/C26H23FN4O2/c1-3-31-22-7-5-4-6-20(22)21-15-18(9-11-23(21)31)28-24(32)12-13-25-29-26(30-33-25)19-10-8-17(27)14-16(19)2/h4-11,14-15H,3,12-13H2,1-2H3,(H,28,32)
InChIKeySSHGXSSBOQFBGD-UHFFFAOYSA-N
XLogP5.88
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.88
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,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 14810794
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-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)propanamide
CID 25033872
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

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 25034138) is N-(9-ethylcarbazol-3-yl)-3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccc(F)cc4C)no3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is SSHGXSSBOQFBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c1-3-31-22-7-5-4-6-20(22)21-15-18(9-11-23(21)31)28-24(32)12-13-25-29-26(30-33-25)19-10-8-17(27)14-16(19)2/h4-11,14-15H,3,12-13H2,1-2H3,(H,28,32).
What are the key properties of N-(9-ethylcarbazol-3-yl)-3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(9-ethylcarbazol-3-yl)-3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 442.49 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 25034138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).