(3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide

C27H31N5O4 — CID 140763375

IUPAC(3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide
SMILESCCc1nc(-c2cccc([C@@H](CN3CC[C@H](O)C3)C(C(=O)NC)c3ccc4c(c3)NC(=O)C4)c2)no1
InChIInChI=1S/C27H31N5O4/c1-3-24-30-26(31-36-24)19-6-4-5-16(11-19)21(15-32-10-9-20(33)14-32)25(27(35)28-2)18-8-7-17-13-23(34)29-22(17)12-18/h4-8,11-12,20-21,25,33H,3,9-10,13-15H2,1-2H3,(H,28,35)(H,29,34)/t20-,21+,25?/m0/s1
InChIKeyLTWADJHTJKWYRA-SXNCYPNXSA-N
MW489.58 g/mol
LogP2.47
Rot. Bonds8

About (3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide

(3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide (PubChem CID 140763375) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is (3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide.

Molecular Properties

Compound Name(3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide
PubChem CID140763375
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name(3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide
SMILESCCc1nc(-c2cccc([C@@H](CN3CC[C@H](O)C3)C(C(=O)NC)c3ccc4c(c3)NC(=O)C4)c2)no1
InChIInChI=1S/C27H31N5O4/c1-3-24-30-26(31-36-24)19-6-4-5-16(11-19)21(15-32-10-9-20(33)14-32)25(27(35)28-2)18-8-7-17-13-23(34)29-22(17)12-18/h4-8,11-12,20-21,25,33H,3,9-10,13-15H2,1-2H3,(H,28,35)(H,29,34)/t20-,21+,25?/m0/s1
InChIKeyLTWADJHTJKWYRA-SXNCYPNXSA-N
XLogP2.47
TPSA120.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide 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

(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide
CID 140763345
(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide
CID 140763259
(3S)-3-(3-but-1-ynylphenyl)-2-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-6-yl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylbutanamide
CID 140763256
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide;sulfane
CID 157242567
(3S)-1-[2-(methylamino)-2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrrolidin-3-ol
CID 153135594
N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 71731670
N,N-diethyl-3-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-[methyl-[2-(2-oxo-1,3-dihydroindol-6-yl)acetyl]amino]ethyl]benzamide
CID 71731938
(3R)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963343
(3R)-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 139412225
(3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol
CID 111448298
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 47028787
(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-6-yloxybutanamide
CID 140764119

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide?
The IUPAC name of (3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide (CID 140763375) is (3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide.
What is the SMILES notation for (3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide?
The canonical SMILES for (3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide is CCc1nc(-c2cccc([C@@H](CN3CC[C@H](O)C3)C(C(=O)NC)c3ccc4c(c3)NC(=O)C4)c2)no1.
What is the InChIKey of (3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide?
The InChIKey is LTWADJHTJKWYRA-SXNCYPNXSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-3-24-30-26(31-36-24)19-6-4-5-16(11-19)21(15-32-10-9-20(33)14-32)25(27(35)28-2)18-8-7-17-13-23(34)29-22(17)12-18/h4-8,11-12,20-21,25,33H,3,9-10,13-15H2,1-2H3,(H,28,35)(H,29,34)/t20-,21+,25?/m0/s1.
What are the key properties of (3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide?
(3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide has a molecular weight of 489.58 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide is sourced from PubChem (CID 140763375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).