(2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine

C19H26N4O3 — CID 141319989

IUPAC(2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine
SMILESCCC[C@@H](CN)COc1ccc(OC)c2c1cc(-c1nc(C)no1)n2C
InChIInChI=1S/C19H26N4O3/c1-5-6-13(10-20)11-25-16-7-8-17(24-4)18-14(16)9-15(23(18)3)19-21-12(2)22-26-19/h7-9,13H,5-6,10-11,20H2,1-4H3/t13-/m0/s1
InChIKeySULZHJCBBFFAND-ZDUSSCGKSA-N
MW358.44 g/mol
LogP3.30
Rot. Bonds8

About (2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine

(2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine (PubChem CID 141319989) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine.

Molecular Properties

Compound Name(2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine
PubChem CID141319989
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine
SMILESCCC[C@@H](CN)COc1ccc(OC)c2c1cc(-c1nc(C)no1)n2C
InChIInChI=1S/C19H26N4O3/c1-5-6-13(10-20)11-25-16-7-8-17(24-4)18-14(16)9-15(23(18)3)19-21-12(2)22-26-19/h7-9,13H,5-6,10-11,20H2,1-4H3/t13-/m0/s1
InChIKeySULZHJCBBFFAND-ZDUSSCGKSA-N
XLogP3.30
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate
CID 141320002
2-[(2-bromophenoxy)methyl]pentan-1-amine
CID 117241854
5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole
CID 131874849
2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012969
2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine
CID 62504322
N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine
CID 163875450
2-ethenyl-4-methoxy-1-(2-propylpentoxy)benzene
CID 174257896
5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole
CID 175874246
1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 104704277
2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 65223012
3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527886
2-(aminomethyl)-1-(3,4-dimethoxyphenyl)pentan-1-one
CID 116574532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine?
The IUPAC name of (2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine (CID 141319989) is (2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine.
What is the SMILES notation for (2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine?
The canonical SMILES for (2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine is CCC[C@@H](CN)COc1ccc(OC)c2c1cc(-c1nc(C)no1)n2C.
What is the InChIKey of (2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine?
The InChIKey is SULZHJCBBFFAND-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-5-6-13(10-20)11-25-16-7-8-17(24-4)18-14(16)9-15(23(18)3)19-21-12(2)22-26-19/h7-9,13H,5-6,10-11,20H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine?
(2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine has a molecular weight of 358.44 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine is sourced from PubChem (CID 141319989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).