5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one

C12H11N3O3 — CID 143265224

IUPAC5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one
SMILESCOc1ccc2c(c1)C(Cc1nnco1)C(=O)N2
InChIInChI=1S/C12H11N3O3/c1-17-7-2-3-10-8(4-7)9(12(16)14-10)5-11-15-13-6-18-11/h2-4,6,9H,5H2,1H3,(H,14,16)
InChIKeyIVKGGUDBXMUWAQ-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.36
Rot. Bonds3

About 5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one

5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one (PubChem CID 143265224) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one
PubChem CID143265224
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one
SMILESCOc1ccc2c(c1)C(Cc1nnco1)C(=O)N2
InChIInChI=1S/C12H11N3O3/c1-17-7-2-3-10-8(4-7)9(12(16)14-10)5-11-15-13-6-18-11/h2-4,6,9H,5H2,1H3,(H,14,16)
InChIKeyIVKGGUDBXMUWAQ-UHFFFAOYSA-N
XLogP1.36
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-butyl-5-methoxy-1,3-dihydroindol-2-one
CID 103846259
(3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367542
3-(aminomethyl)-6-methoxy-1,3-dihydroindol-2-one
CID 53407740
4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one
CID 105458950
(3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 51971626
4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
CID 13260479
(3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367950
5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one
CID 114990088
2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 79730196
(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 51539527
5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
CID 115002941
5-methoxy-3-(3-methylbutan-2-ylamino)-1,3-dihydroindol-2-one
CID 114990091

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one (CID 143265224) is 5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one is COc1ccc2c(c1)C(Cc1nnco1)C(=O)N2.
What is the InChIKey of 5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one?
The InChIKey is IVKGGUDBXMUWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-17-7-2-3-10-8(4-7)9(12(16)14-10)5-11-15-13-6-18-11/h2-4,6,9H,5H2,1H3,(H,14,16).
What are the key properties of 5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one?
5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one has a molecular weight of 245.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 143265224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).