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

C18H14ClN3O2 — CID 110391480

IUPAC[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C18H14ClN3O2/c1-11-9-12-5-2-3-8-15(12)22(11)18(23)17-21-20-16(24-17)13-6-4-7-14(19)10-13/h2-8,10-11H,9H2,1H3
InChIKeyZJIVOQFLXIWPDZ-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.98
Rot. Bonds2

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

[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 110391480) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID110391480
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C18H14ClN3O2/c1-11-9-12-5-2-3-8-15(12)22(11)18(23)17-21-20-16(24-17)13-6-4-7-14(19)10-13/h2-8,10-11H,9H2,1H3
InChIKeyZJIVOQFLXIWPDZ-UHFFFAOYSA-N
XLogP3.98
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone with MolForge

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Related Compounds

6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
CID 7347294
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112850083
[6-(3-chloroanilino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109163427
(3,5-dichloro-4-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 11702524
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17319734
(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561
4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one
CID 110699372
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2646153

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 110391480) is [5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of [5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is ZJIVOQFLXIWPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-11-9-12-5-2-3-8-15(12)22(11)18(23)17-21-20-16(24-17)13-6-4-7-14(19)10-13/h2-8,10-11H,9H2,1H3.
What are the key properties of [5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 339.78 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110391480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).