(2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide

C19H22N4O3 — CID 126442731

IUPAC(2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCC[C@H](C(=O)N(C)CCc1ncon1)n1cc(C(C)=O)c2ccccc21
InChIInChI=1S/C19H22N4O3/c1-4-16(19(25)22(3)10-9-18-20-12-26-21-18)23-11-15(13(2)24)14-7-5-6-8-17(14)23/h5-8,11-12,16H,4,9-10H2,1-3H3/t16-/m1/s1
InChIKeyIARCQPZOPJZTHV-MRXNPFEDSA-N
MW354.41 g/mol
LogP2.88
Rot. Bonds7

About (2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide

(2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide (PubChem CID 126442731) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
PubChem CID126442731
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCC[C@H](C(=O)N(C)CCc1ncon1)n1cc(C(C)=O)c2ccccc21
InChIInChI=1S/C19H22N4O3/c1-4-16(19(25)22(3)10-9-18-20-12-26-21-18)23-11-15(13(2)24)14-7-5-6-8-17(14)23/h5-8,11-12,16H,4,9-10H2,1-3H3/t16-/m1/s1
InChIKeyIARCQPZOPJZTHV-MRXNPFEDSA-N
XLogP2.88
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 507884
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 507885
1-[7-(5-amino-1,2,4-oxadiazol-3-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 507891
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 507935
1-(4-benzoylpiperazin-1-yl)-2-[7-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]ethane-1,2-dione
CID 507940
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-[5-(methylamino)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]ethane-1,2-dione
CID 507941
Trimethyl-[[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]azanium iodide
CID 9978162
N-(3-(1H-imidazol-1-yl)propyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7080788
N-(3-(1H-imidazol-1-yl)propyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 7080794
N-(3-(1H-imidazol-1-yl)propyl)-2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoacetamide
CID 7080799
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(5-methoxy-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 507820
N,N-dimethyl-1-[3-(1-methyl-3-indolyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 9921349

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The IUPAC name of (2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide (CID 126442731) is (2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The canonical SMILES for (2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide is CC[C@H](C(=O)N(C)CCc1ncon1)n1cc(C(C)=O)c2ccccc21.
What is the InChIKey of (2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The InChIKey is IARCQPZOPJZTHV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-16(19(25)22(3)10-9-18-20-12-26-21-18)23-11-15(13(2)24)14-7-5-6-8-17(14)23/h5-8,11-12,16H,4,9-10H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide?
(2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide has a molecular weight of 354.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 126442731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).