5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

C21H19N3O4 — CID 9178050

IUPAC5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1cc(C)c2c(c1)C1(OCCO1)C(=O)N2Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H19N3O4/c1-13-10-14(2)18-16(11-13)21(26-8-9-27-21)20(25)24(18)12-17-22-23-19(28-17)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeySEMMSGPASBDLPB-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.10
Rot. Bonds3

About 5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9178050) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9178050
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1cc(C)c2c(c1)C1(OCCO1)C(=O)N2Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H19N3O4/c1-13-10-14(2)18-16(11-13)21(26-8-9-27-21)20(25)24(18)12-17-22-23-19(28-17)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeySEMMSGPASBDLPB-UHFFFAOYSA-N
XLogP3.10
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178192
1'-butyl-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177518
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,4,6-trimethylbenzoate
CID 7472802
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
5-ethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 17405120
(4R)-3'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 25438619
(4S)-3'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 25438623
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-oxazepan-5-one
CID 72936466
(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 41157193
6-chloro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-benzoxazin-3-one
CID 3163340
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633

Frequently Asked Questions

What is the IUPAC name of 5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9178050) is 5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is Cc1cc(C)c2c(c1)C1(OCCO1)C(=O)N2Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of 5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is SEMMSGPASBDLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-13-10-14(2)18-16(11-13)21(26-8-9-27-21)20(25)24(18)12-17-22-23-19(28-17)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of 5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 377.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9178050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).