(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one

C17H11ClN4O2 — CID 6510095

IUPAC(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one
SMILESCN1C(=O)/C(=N/c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21
InChIInChI=1S/C17H11ClN4O2/c1-22-13-5-3-2-4-12(13)14(16(22)23)19-17-21-20-15(24-17)10-6-8-11(18)9-7-10/h2-9H,1H3/b19-14+
InChIKeyHQIRXHNTGVARDF-XMHGGMMESA-N
MW338.75 g/mol
LogP3.49
Rot. Bonds2

About (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one

(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one (PubChem CID 6510095) has the molecular formula C17H11ClN4O2 and a molecular weight of 338.75 g/mol. Its IUPAC name is (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one.

Molecular Properties

Compound Name(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one
PubChem CID6510095
Molecular FormulaC17H11ClN4O2
Molecular Weight338.75 g/mol
Exact Mass338.06
IUPAC Name(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one
SMILESCN1C(=O)/C(=N/c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21
InChIInChI=1S/C17H11ClN4O2/c1-22-13-5-3-2-4-12(13)14(16(22)23)19-17-21-20-15(24-17)10-6-8-11(18)9-7-10/h2-9H,1H3/b19-14+
InChIKeyHQIRXHNTGVARDF-XMHGGMMESA-N
XLogP3.49
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one?
The IUPAC name of (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one (CID 6510095) is (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one.
What is the SMILES notation for (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one?
The canonical SMILES for (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one is CN1C(=O)/C(=N/c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21.
What is the InChIKey of (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one?
The InChIKey is HQIRXHNTGVARDF-XMHGGMMESA-N. The full InChI is InChI=1S/C17H11ClN4O2/c1-22-13-5-3-2-4-12(13)14(16(22)23)19-17-21-20-15(24-17)10-6-8-11(18)9-7-10/h2-9H,1H3/b19-14+.
What are the key properties of (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one?
(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one has a molecular weight of 338.75 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one is sourced from PubChem (CID 6510095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).