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

C28H28N4O2 — CID 25033874

IUPACN-(9-ethylcarbazol-3-yl)-3-[3-(2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccccc4C(C)C)no3)ccc21
InChIInChI=1S/C28H28N4O2/c1-4-32-24-12-8-7-10-21(24)23-17-19(13-14-25(23)32)29-26(33)15-16-27-30-28(31-34-27)22-11-6-5-9-20(22)18(2)3/h5-14,17-18H,4,15-16H2,1-3H3,(H,29,33)
InChIKeyHMKYVRMYZWQBIC-UHFFFAOYSA-N
MW452.56 g/mol
LogP6.56
Rot. Bonds7

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

N-(9-ethylcarbazol-3-yl)-3-[3-(2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 25033874) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3-[3-(2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-3-[3-(2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID25033874
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-(9-ethylcarbazol-3-yl)-3-[3-(2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccccc4C(C)C)no3)ccc21
InChIInChI=1S/C28H28N4O2/c1-4-32-24-12-8-7-10-21(24)23-17-19(13-14-25(23)32)29-26(33)15-16-27-30-28(31-34-27)22-11-6-5-9-20(22)18(2)3/h5-14,17-18H,4,15-16H2,1-3H3,(H,29,33)
InChIKeyHMKYVRMYZWQBIC-UHFFFAOYSA-N
XLogP6.56
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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
3-(1-Methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 14810798
5-(1,1-Dimethylpiperidin-1-ium-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole iodide
CID 14810820
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
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

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-3-[3-(2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-3-[3-(2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 25033874) is N-(9-ethylcarbazol-3-yl)-3-[3-(2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3-[3-(2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3-[3-(2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccccc4C(C)C)no3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3-[3-(2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is HMKYVRMYZWQBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-4-32-24-12-8-7-10-21(24)23-17-19(13-14-25(23)32)29-26(33)15-16-27-30-28(31-34-27)22-11-6-5-9-20(22)18(2)3/h5-14,17-18H,4,15-16H2,1-3H3,(H,29,33).
What are the key properties of N-(9-ethylcarbazol-3-yl)-3-[3-(2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(9-ethylcarbazol-3-yl)-3-[3-(2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 452.56 g/mol, XLogP of 6.56, 7 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-(2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 25033874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).