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

C24H23FN4O3 — CID 110242989

IUPAC(2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
SMILESCc1[nH]c2cccc(C(=O)N3CCOC(c4nc(Cc5ccccc5F)no4)C3)c2c1C
InChIInChI=1S/C24H23FN4O3/c1-14-15(2)26-19-9-5-7-17(22(14)19)24(30)29-10-11-31-20(13-29)23-27-21(28-32-23)12-16-6-3-4-8-18(16)25/h3-9,20,26H,10-13H2,1-2H3
InChIKeyBTUPFCSWSPQTIU-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.11
Rot. Bonds4

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

(2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone (PubChem CID 110242989) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
PubChem CID110242989
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name(2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
SMILESCc1[nH]c2cccc(C(=O)N3CCOC(c4nc(Cc5ccccc5F)no4)C3)c2c1C
InChIInChI=1S/C24H23FN4O3/c1-14-15(2)26-19-9-5-7-17(22(14)19)24(30)29-10-11-31-20(13-29)23-27-21(28-32-23)12-16-6-3-4-8-18(16)25/h3-9,20,26H,10-13H2,1-2H3
InChIKeyBTUPFCSWSPQTIU-UHFFFAOYSA-N
XLogP4.11
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 110224472
[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 110242986
3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
CID 92573009
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine
CID 46956764
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 46956767
(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125015560
1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one
CID 110242925
[2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
CID 127251578
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 125020266
2-[(2S)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137169800
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979801
(2-fluorophenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327171

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone (CID 110242989) is (2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-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-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone is Cc1[nH]c2cccc(C(=O)N3CCOC(c4nc(Cc5ccccc5F)no4)C3)c2c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
The InChIKey is BTUPFCSWSPQTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-14-15(2)26-19-9-5-7-17(22(14)19)24(30)29-10-11-31-20(13-29)23-27-21(28-32-23)12-16-6-3-4-8-18(16)25/h3-9,20,26H,10-13H2,1-2H3.
What are the key properties of (2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
(2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone has a molecular weight of 434.47 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 110242989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).