5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one

C10H8ClN3O2 — CID 146425085

IUPAC5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cc(Cl)c3c(c2)CCN3)o1
InChIInChI=1S/C10H8ClN3O2/c11-7-4-6(9-13-14-10(15)16-9)3-5-1-2-12-8(5)7/h3-4,12H,1-2H2,(H,14,15)
InChIKeyRZQJGRAIMXVJRY-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.65
Rot. Bonds1

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

5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 146425085) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID146425085
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cc(Cl)c3c(c2)CCN3)o1
InChIInChI=1S/C10H8ClN3O2/c11-7-4-6(9-13-14-10(15)16-9)3-5-1-2-12-8(5)7/h3-4,12H,1-2H2,(H,14,15)
InChIKeyRZQJGRAIMXVJRY-UHFFFAOYSA-N
XLogP1.65
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one (CID 146425085) is 5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2cc(Cl)c3c(c2)CCN3)o1.
What is the InChIKey of 5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is RZQJGRAIMXVJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-7-4-6(9-13-14-10(15)16-9)3-5-1-2-12-8(5)7/h3-4,12H,1-2H2,(H,14,15).
What are the key properties of 5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one?
5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 237.65 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-2,3-dihydro-1H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146425085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).