N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide

C23H24N4O2 — CID 110613618

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCc1nnc(C(CC(=O)NCc2ccc3c(c2)cc(C)n3C)c2ccccc2)o1
InChIInChI=1S/C23H24N4O2/c1-15-11-19-12-17(9-10-21(19)27(15)3)14-24-22(28)13-20(18-7-5-4-6-8-18)23-26-25-16(2)29-23/h4-12,20H,13-14H2,1-3H3,(H,24,28)
InChIKeyBKTOYYPXVZEROM-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.02
Rot. Bonds6

About N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide

N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (PubChem CID 110613618) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
PubChem CID110613618
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCc1nnc(C(CC(=O)NCc2ccc3c(c2)cc(C)n3C)c2ccccc2)o1
InChIInChI=1S/C23H24N4O2/c1-15-11-19-12-17(9-10-21(19)27(15)3)14-24-22(28)13-20(18-7-5-4-6-8-18)23-26-25-16(2)29-23/h4-12,20H,13-14H2,1-3H3,(H,24,28)
InChIKeyBKTOYYPXVZEROM-UHFFFAOYSA-N
XLogP4.02
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide
CID 3239976
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 110414952
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 110627823
N-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415634
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 110605942
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylbutyl)propanamide
CID 110607473
N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110416583
N-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415298
N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 3244822
N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
CID 5080692
N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 5175509
N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110411477

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (CID 110613618) is N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is Cc1nnc(C(CC(=O)NCc2ccc3c(c2)cc(C)n3C)c2ccccc2)o1.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The InChIKey is BKTOYYPXVZEROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15-11-19-12-17(9-10-21(19)27(15)3)14-24-22(28)13-20(18-7-5-4-6-8-18)23-26-25-16(2)29-23/h4-12,20H,13-14H2,1-3H3,(H,24,28).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide has a molecular weight of 388.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 110613618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).