7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one

C11H9ClN4O2 — CID 117416069

IUPAC7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one
SMILESNCc1nc(-c2cc(Cl)cc3c2NC(=O)C3)no1
InChIInChI=1S/C11H9ClN4O2/c12-6-1-5-2-8(17)14-10(5)7(3-6)11-15-9(4-13)18-16-11/h1,3H,2,4,13H2,(H,14,17)
InChIKeyHRPYTIMEMZPNKV-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.34
Rot. Bonds2

About 7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one

7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one (PubChem CID 117416069) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one
PubChem CID117416069
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one
SMILESNCc1nc(-c2cc(Cl)cc3c2NC(=O)C3)no1
InChIInChI=1S/C11H9ClN4O2/c12-6-1-5-2-8(17)14-10(5)7(3-6)11-15-9(4-13)18-16-11/h1,3H,2,4,13H2,(H,14,17)
InChIKeyHRPYTIMEMZPNKV-UHFFFAOYSA-N
XLogP1.34
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117382486
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol
CID 136942298
[3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 71829645
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-fluorophenol
CID 137011460
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-methylphenol
CID 136952236
7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one
CID 117374889
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
[3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117452342
7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one
CID 117318863
[3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117448755
3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid
CID 115003616
[3-(6-chloro-2,3-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117348084

Frequently Asked Questions

What is the IUPAC name of 7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one (CID 117416069) is 7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one is NCc1nc(-c2cc(Cl)cc3c2NC(=O)C3)no1.
What is the InChIKey of 7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one?
The InChIKey is HRPYTIMEMZPNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-6-1-5-2-8(17)14-10(5)7(3-6)11-15-9(4-13)18-16-11/h1,3H,2,4,13H2,(H,14,17).
What are the key properties of 7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one?
7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one has a molecular weight of 264.67 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 117416069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).