(2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone

C24H24N4O4 — CID 110224472

IUPAC(2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
SMILESCOc1ccc(-c2noc(C3CN(C(=O)c4cccc5[nH]c(C)c(C)c45)CCO3)n2)cc1
InChIInChI=1S/C24H24N4O4/c1-14-15(2)25-19-6-4-5-18(21(14)19)24(29)28-11-12-31-20(13-28)23-26-22(27-32-23)16-7-9-17(30-3)10-8-16/h4-10,20,25H,11-13H2,1-3H3
InChIKeyXISACLPNLHOXPW-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.06
Rot. Bonds4

About (2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone

(2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone (PubChem CID 110224472) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
PubChem CID110224472
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name(2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
SMILESCOc1ccc(-c2noc(C3CN(C(=O)c4cccc5[nH]c(C)c(C)c45)CCO3)n2)cc1
InChIInChI=1S/C24H24N4O4/c1-14-15(2)25-19-6-4-5-18(21(14)19)24(29)28-11-12-31-20(13-28)23-26-22(27-32-23)16-7-9-17(30-3)10-8-16/h4-10,20,25H,11-13H2,1-3H3
InChIKeyXISACLPNLHOXPW-UHFFFAOYSA-N
XLogP4.06
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 110242989
[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 92604247
[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone
CID 92595640
1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one
CID 110242925
(2-methoxyphenyl)-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226059
tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
CID 66618582
(2-bromophenyl)-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3942200
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
(4,5-dimethylthiophen-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92598338
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 1456239
[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone
CID 125005581

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone (CID 110224472) is (2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone is COc1ccc(-c2noc(C3CN(C(=O)c4cccc5[nH]c(C)c(C)c45)CCO3)n2)cc1.
What is the InChIKey of (2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
The InChIKey is XISACLPNLHOXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-14-15(2)25-19-6-4-5-18(21(14)19)24(29)28-11-12-31-20(13-28)23-26-22(27-32-23)16-7-9-17(30-3)10-8-16/h4-10,20,25H,11-13H2,1-3H3.
What are the key properties of (2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
(2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone has a molecular weight of 432.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 110224472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).