2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone

C20H22N4O3 — CID 110876590

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1c2ccccc2CC1c1noc(C(C)C)n1
InChIInChI=1S/C20H22N4O3/c1-11(2)20-21-19(23-27-20)17-9-14-7-5-6-8-16(14)24(17)18(25)10-15-12(3)22-26-13(15)4/h5-8,11,17H,9-10H2,1-4H3
InChIKeyCFIMPWVGWNQPCU-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.67
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 110876590) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID110876590
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1c2ccccc2CC1c1noc(C(C)C)n1
InChIInChI=1S/C20H22N4O3/c1-11(2)20-21-19(23-27-20)17-9-14-7-5-6-8-16(14)24(17)18(25)10-15-12(3)22-26-13(15)4/h5-8,11,17H,9-10H2,1-4H3
InChIKeyCFIMPWVGWNQPCU-UHFFFAOYSA-N
XLogP3.67
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one
CID 91924529
N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide
CID 110876591
1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86881473
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 39236485
(2S)-1-acetyl-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 92710265
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methyl-5-nitro-2,3-dihydroindol-1-yl]ethanone
CID 95571183
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
CID 110427435
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-phenylazepan-1-yl]ethanone
CID 97313180
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 97001958
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 43035214
2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid
CID 138041171
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone (CID 110876590) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1c2ccccc2CC1c1noc(C(C)C)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is CFIMPWVGWNQPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-11(2)20-21-19(23-27-20)17-9-14-7-5-6-8-16(14)24(17)18(25)10-15-12(3)22-26-13(15)4/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 366.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 110876590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).