1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone

C14H15N3O2 — CID 110427435

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCc1nc(CC(=O)N2c3ccccc3CC2C)no1
InChIInChI=1S/C14H15N3O2/c1-9-7-11-5-3-4-6-12(11)17(9)14(18)8-13-15-10(2)19-16-13/h3-6,9H,7-8H2,1-2H3
InChIKeyYIIJBYOCJHIPET-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.90
Rot. Bonds2

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone (PubChem CID 110427435) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
PubChem CID110427435
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCc1nc(CC(=O)N2c3ccccc3CC2C)no1
InChIInChI=1S/C14H15N3O2/c1-9-7-11-5-3-4-6-12(11)17(9)14(18)8-13-15-10(2)19-16-13/h3-6,9H,7-8H2,1-2H3
InChIKeyYIIJBYOCJHIPET-UHFFFAOYSA-N
XLogP1.90
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484549
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 29452795
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 110651148
2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 30850541
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109011151
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 133244433
2-(4-hydroxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 78838862
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 110679760
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 94556878
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 75404639

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone (CID 110427435) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone is Cc1nc(CC(=O)N2c3ccccc3CC2C)no1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The InChIKey is YIIJBYOCJHIPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-7-11-5-3-4-6-12(11)17(9)14(18)8-13-15-10(2)19-16-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone has a molecular weight of 257.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 110427435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).