3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one

C23H23N5O3 — CID 110242946

IUPAC3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCn1cc(CCC(=O)N2CCOC(c3nc(-c4cccnc4)no3)C2)c2ccccc21
InChIInChI=1S/C23H23N5O3/c1-27-14-17(18-6-2-3-7-19(18)27)8-9-21(29)28-11-12-30-20(15-28)23-25-22(26-31-23)16-5-4-10-24-13-16/h2-7,10,13-14,20H,8-9,11-12,15H2,1H3
InChIKeyJSWSCHXAGJUYLN-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.16
Rot. Bonds5

About 3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one

3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one (PubChem CID 110242946) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
PubChem CID110242946
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCn1cc(CCC(=O)N2CCOC(c3nc(-c4cccnc4)no3)C2)c2ccccc21
InChIInChI=1S/C23H23N5O3/c1-27-14-17(18-6-2-3-7-19(18)27)8-9-21(29)28-11-12-30-20(15-28)23-25-22(26-31-23)16-5-4-10-24-13-16/h2-7,10,13-14,20H,8-9,11-12,15H2,1H3
InChIKeyJSWSCHXAGJUYLN-UHFFFAOYSA-N
XLogP3.16
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92566845
2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
CID 46956749
4-(1-methylindol-3-yl)-1-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 110235477
4-(1-methylindol-3-yl)-1-[(3S)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 92566868
3-pyridin-3-yl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 91768791
1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 86981275
1-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70729423
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
CID 46956752
2-(1,3-dihydroisoindol-2-yl)-1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600443
2-(1,3-dihydroisoindol-2-yl)-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600444
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 55622804
(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine
CID 92575825

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one (CID 110242946) is 3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one is Cn1cc(CCC(=O)N2CCOC(c3nc(-c4cccnc4)no3)C2)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one?
The InChIKey is JSWSCHXAGJUYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-27-14-17(18-6-2-3-7-19(18)27)8-9-21(29)28-11-12-30-20(15-28)23-25-22(26-31-23)16-5-4-10-24-13-16/h2-7,10,13-14,20H,8-9,11-12,15H2,1H3.
What are the key properties of 3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one?
3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one has a molecular weight of 417.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 110242946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).