(3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide

C22H22N4O3 — CID 97266539

IUPAC(3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide
SMILESCOc1cccc2[nH]cc([C@H](CC(=O)NCc3nc(C)no3)c3ccccc3)c12
InChIInChI=1S/C22H22N4O3/c1-14-25-21(29-26-14)13-24-20(27)11-16(15-7-4-3-5-8-15)17-12-23-18-9-6-10-19(28-2)22(17)18/h3-10,12,16,23H,11,13H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyWAPNFXIZXJLRNU-MRXNPFEDSA-N
MW390.44 g/mol
LogP3.71
Rot. Bonds7

About (3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide

(3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide (PubChem CID 97266539) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is (3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide
PubChem CID97266539
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name(3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide
SMILESCOc1cccc2[nH]cc([C@H](CC(=O)NCc3nc(C)no3)c3ccccc3)c12
InChIInChI=1S/C22H22N4O3/c1-14-25-21(29-26-14)13-24-20(27)11-16(15-7-4-3-5-8-15)17-12-23-18-9-6-10-19(28-2)22(17)18/h3-10,12,16,23H,11,13H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyWAPNFXIZXJLRNU-MRXNPFEDSA-N
XLogP3.71
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide 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)-N-(furan-2-ylmethyl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-methoxy-1H-indol-3-yl)propanamide
CID 97046148
(3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide
CID 97266165
4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
CID 58088594
1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine
CID 67268953
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxy-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 97266226
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
CID 102386429
N-(1,1-dioxothiolan-3-yl)-3-(4-methoxy-1H-indol-3-yl)-3-thiophen-3-ylpropanamide
CID 71701218
(3S)-3-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxy-1H-indol-3-yl)propanamide
CID 97266642
(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methoxy-1H-indol-3-yl)-3-thiophen-3-ylpropanamide
CID 97263648
4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 120537179

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide (CID 97266539) is (3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide is COc1cccc2[nH]cc([C@H](CC(=O)NCc3nc(C)no3)c3ccccc3)c12.
What is the InChIKey of (3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide?
The InChIKey is WAPNFXIZXJLRNU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-25-21(29-26-14)13-24-20(27)11-16(15-7-4-3-5-8-15)17-12-23-18-9-6-10-19(28-2)22(17)18/h3-10,12,16,23H,11,13H2,1-2H3,(H,24,27)/t16-/m1/s1.
What are the key properties of (3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide?
(3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide has a molecular weight of 390.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 97266539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).