1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

C23H26N4O3 — CID 175946593

IUPAC1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C(C)C)c3c2)o1
InChIInChI=1S/C23H26N4O3/c1-13(2)21-16-10-15(23-27-26-20(30-23)12-24-3)6-8-17(16)25-22(21)14-7-9-18(28-4)19(11-14)29-5/h6-11,13,24-25H,12H2,1-5H3
InChIKeyNXLANLKGTQHBAY-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.74
Rot. Bonds7

About 1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 175946593) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID175946593
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C(C)C)c3c2)o1
InChIInChI=1S/C23H26N4O3/c1-13(2)21-16-10-15(23-27-26-20(30-23)12-24-3)6-8-17(16)25-22(21)14-7-9-18(28-4)19(11-14)29-5/h6-11,13,24-25H,12H2,1-5H3
InChIKeyNXLANLKGTQHBAY-UHFFFAOYSA-N
XLogP4.74
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine
CID 175946590
1-[4-[[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 154639947
1-[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 81284962
2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole
CID 150155217
methyl 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indole-5-carboxylate
CID 154640119
N,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 154639968
2-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-4-(methylamino)piperidin-4-yl]acetonitrile
CID 150158949
3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]benzoic acid
CID 154639969
2-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 134231010
2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole
CID 154640027
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 155225982
4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine
CID 151018513

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 175946593) is 1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(-c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C(C)C)c3c2)o1.
What is the InChIKey of 1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is NXLANLKGTQHBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-13(2)21-16-10-15(23-27-26-20(30-23)12-24-3)6-8-17(16)25-22(21)14-7-9-18(28-4)19(11-14)29-5/h6-11,13,24-25H,12H2,1-5H3.
What are the key properties of 1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 406.49 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 175946593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).