3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide

C29H28N4O2 — CID 24626029

IUPAC3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide
SMILESCCc1ccc(-c2noc(CCC(=O)NCC(c3ccccc3)c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C29H28N4O2/c1-2-20-12-14-22(15-13-20)29-32-28(35-33-29)17-16-27(34)31-18-24(21-8-4-3-5-9-21)25-19-30-26-11-7-6-10-23(25)26/h3-15,19,24,30H,2,16-18H2,1H3,(H,31,34)
InChIKeyPBEDPPJWCRUISZ-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.66
Rot. Bonds9

About 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide

3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide (PubChem CID 24626029) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide
PubChem CID24626029
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC Name3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide
SMILESCCc1ccc(-c2noc(CCC(=O)NCC(c3ccccc3)c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C29H28N4O2/c1-2-20-12-14-22(15-13-20)29-32-28(35-33-29)17-16-27(34)31-18-24(21-8-4-3-5-9-21)25-19-30-26-11-7-6-10-23(25)26/h3-15,19,24,30H,2,16-18H2,1H3,(H,31,34)
InChIKeyPBEDPPJWCRUISZ-UHFFFAOYSA-N
XLogP5.66
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 42936730
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46453161
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide
CID 46471647
N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46512546
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24640199
N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18150912
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 42895093
N-(1H-indol-6-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70779617
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51154964

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide?
The IUPAC name of 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide (CID 24626029) is 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide.
What is the SMILES notation for 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide?
The canonical SMILES for 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide is CCc1ccc(-c2noc(CCC(=O)NCC(c3ccccc3)c3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide?
The InChIKey is PBEDPPJWCRUISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-2-20-12-14-22(15-13-20)29-32-28(35-33-29)17-16-27(34)31-18-24(21-8-4-3-5-9-21)25-19-30-26-11-7-6-10-23(25)26/h3-15,19,24,30H,2,16-18H2,1H3,(H,31,34).
What are the key properties of 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide?
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide has a molecular weight of 464.57 g/mol, XLogP of 5.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide is sourced from PubChem (CID 24626029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).