2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

C18H15N3O2 — CID 50778980

IUPAC2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCc4ccccc43)c2)no1
InChIInChI=1S/C18H15N3O2/c1-12-19-17(20-23-12)14-6-4-7-15(11-14)18(22)21-10-9-13-5-2-3-8-16(13)21/h2-8,11H,9-10H2,1H3
InChIKeyVBQBINZOZZDRNF-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.25
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone (PubChem CID 50778980) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
PubChem CID50778980
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCc4ccccc43)c2)no1
InChIInChI=1S/C18H15N3O2/c1-12-19-17(20-23-12)14-6-4-7-15(11-14)18(22)21-10-9-13-5-2-3-8-16(13)21/h2-8,11H,9-10H2,1H3
InChIKeyVBQBINZOZZDRNF-UHFFFAOYSA-N
XLogP3.25
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 92746622
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372145
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
3-(2,3-dihydroindole-1-carbonyl)benzaldehyde
CID 90104032
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3,4-dihydro-1H-isoquinolin-2-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 175729357
2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone
CID 55531006
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 7465273

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone (CID 50778980) is 2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone is Cc1nc(-c2cccc(C(=O)N3CCc4ccccc43)c2)no1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The InChIKey is VBQBINZOZZDRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-12-19-17(20-23-12)14-6-4-7-15(11-14)18(22)21-10-9-13-5-2-3-8-16(13)21/h2-8,11H,9-10H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone has a molecular weight of 305.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone is sourced from PubChem (CID 50778980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).