N-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide

C25H28N4O2 — CID 122643926

IUPACN-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
SMILESCCc1ccc(CN(C)C(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C25H28N4O2/c1-3-18-8-10-19(11-9-18)17-29(2)25(30)15-14-24-28-27-23(31-24)13-12-20-16-26-22-7-5-4-6-21(20)22/h4-11,16,26H,3,12-15,17H2,1-2H3
InChIKeyMYWFVOHKFIFWPL-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.49
Rot. Bonds9

About N-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide

N-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide (PubChem CID 122643926) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
PubChem CID122643926
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
SMILESCCc1ccc(CN(C)C(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C25H28N4O2/c1-3-18-8-10-19(11-9-18)17-29(2)25(30)15-14-24-28-27-23(31-24)13-12-20-16-26-22-7-5-4-6-21(20)22/h4-11,16,26H,3,12-15,17H2,1-2H3
InChIKeyMYWFVOHKFIFWPL-UHFFFAOYSA-N
XLogP4.49
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-2-(1H-indol-3-yl)-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 16187930
N-Isopropyl-N-(1-methyl-1H-pyrazol-4-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10271497
(S)-2-((5-(1-amino-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetamide hydrochloride
CID 11957170
tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
CID 663256
(S)-2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 6602709
(S)-2-(1H-indol-3-yl)-1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 6602710
(S)-2-((5-(1-amino-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,5-dimethylphenyl)acetamide hydrochloride
CID 6602773
(S)-2-((5-(1-amino-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,3-dimethylphenyl)acetamide hydrochloride
CID 6602829
(S)-2-((5-(1-amino-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-ethylphenyl)acetamide hydrochloride
CID 6603344
(S)-1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine hydrochloride
CID 6603500
(S)-2-((5-(1-amino-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,4-dimethylphenyl)acetamide hydrochloride
CID 6603605
3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(3-thienylmethyl)propanamide
CID 16187716

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide (CID 122643926) is N-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide is CCc1ccc(CN(C)C(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide?
The InChIKey is MYWFVOHKFIFWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-3-18-8-10-19(11-9-18)17-29(2)25(30)15-14-24-28-27-23(31-24)13-12-20-16-26-22-7-5-4-6-21(20)22/h4-11,16,26H,3,12-15,17H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide?
N-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide has a molecular weight of 416.53 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 122643926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).