5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one

C11H10ClN3O2 — CID 146425103

IUPAC5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCN1CCc2cc(-c3n[nH]c(=O)o3)cc(Cl)c21
InChIInChI=1S/C11H10ClN3O2/c1-15-3-2-6-4-7(5-8(12)9(6)15)10-13-14-11(16)17-10/h4-5H,2-3H2,1H3,(H,14,16)
InChIKeyLDYHZOMGUOAGHM-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.68
Rot. Bonds1

About 5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one

5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 146425103) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID146425103
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCN1CCc2cc(-c3n[nH]c(=O)o3)cc(Cl)c21
InChIInChI=1S/C11H10ClN3O2/c1-15-3-2-6-4-7(5-8(12)9(6)15)10-13-14-11(16)17-10/h4-5H,2-3H2,1H3,(H,14,16)
InChIKeyLDYHZOMGUOAGHM-UHFFFAOYSA-N
XLogP1.68
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Methylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146437789
5-(7-Chloro-1,3,3-trimethyl-indolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146424904
5-[1-(Cyclopropylmethyl)indolin-5-yl]-1,3,4-oxadiazol-2-ol
CID 146424934
5-(1-Ethylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146424975
5-(1-Isopropylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146438029
5-(1′-Methylspiro[cyclopropane-1,3′-indolin]-5′-yl)-1,3,4-oxadiazol-2-ol
CID 156436936
1-(5-(5-Hydroxy-1,3,4-oxadiazol-2-yl)indolin-1-yl)ethan-1-one
CID 146438039
5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one
CID 146425062
5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one
CID 146425085

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one (CID 146425103) is 5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one is CN1CCc2cc(-c3n[nH]c(=O)o3)cc(Cl)c21.
What is the InChIKey of 5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is LDYHZOMGUOAGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-15-3-2-6-4-7(5-8(12)9(6)15)10-13-14-11(16)17-10/h4-5H,2-3H2,1H3,(H,14,16).
What are the key properties of 5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 251.67 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146425103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).