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

C13H14ClN3O2 — CID 146424904

IUPAC5-(7-chloro-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCN1CC(C)(C)c2cc(-c3n[nH]c(=O)o3)cc(Cl)c21
InChIInChI=1S/C13H14ClN3O2/c1-13(2)6-17(3)10-8(13)4-7(5-9(10)14)11-15-16-12(18)19-11/h4-5H,6H2,1-3H3,(H,16,18)
InChIKeyPVLSSHWATUBRKB-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.41
Rot. Bonds1

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

5-(7-chloro-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 146424904) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-(7-chloro-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(7-chloro-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID146424904
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-(7-chloro-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCN1CC(C)(C)c2cc(-c3n[nH]c(=O)o3)cc(Cl)c21
InChIInChI=1S/C13H14ClN3O2/c1-13(2)6-17(3)10-8(13)4-7(5-9(10)14)11-15-16-12(18)19-11/h4-5H,6H2,1-3H3,(H,16,18)
InChIKeyPVLSSHWATUBRKB-UHFFFAOYSA-N
XLogP2.41
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(7-chloro-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-Methylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146437789
5-(1-Ethylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146424975
5-(7-Chloro-1-methyl-indolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146425103
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
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-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(7-chloro-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one (CID 146424904) is 5-(7-chloro-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(7-chloro-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(7-chloro-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one is CN1CC(C)(C)c2cc(-c3n[nH]c(=O)o3)cc(Cl)c21.
What is the InChIKey of 5-(7-chloro-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is PVLSSHWATUBRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-13(2)6-17(3)10-8(13)4-7(5-9(10)14)11-15-16-12(18)19-11/h4-5H,6H2,1-3H3,(H,16,18).
What are the key properties of 5-(7-chloro-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one?
5-(7-chloro-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 279.73 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146424904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).