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

C19H14ClN3O4 — CID 9178192

IUPAC7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(Cc2nnc(-c3ccccc3)o2)c2c(Cl)cccc2C12OCCO2
InChIInChI=1S/C19H14ClN3O4/c20-14-8-4-7-13-16(14)23(18(24)19(13)25-9-10-26-19)11-15-21-22-17(27-15)12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyNHZQZJQIESBLAA-UHFFFAOYSA-N
MW383.79 g/mol
LogP3.14
Rot. Bonds3

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

7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9178192) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is 7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9178192
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC Name7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(Cc2nnc(-c3ccccc3)o2)c2c(Cl)cccc2C12OCCO2
InChIInChI=1S/C19H14ClN3O4/c20-14-8-4-7-13-16(14)23(18(24)19(13)25-9-10-26-19)11-15-21-22-17(27-15)12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyNHZQZJQIESBLAA-UHFFFAOYSA-N
XLogP3.14
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178050
N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide
CID 9179002
7'-chloro-1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889714
7'-chloro-1'-[3-(4-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178183
(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
1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178173
6-chloro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-benzoxazin-3-one
CID 3163340
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-oxazepan-5-one
CID 72936466
(5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 41213860
5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione
CID 43052720
(5-phenyl-1,3,4-oxadiazol-2-yl)methanesulfinic acid
CID 174726453

Frequently Asked Questions

What is the IUPAC name of 7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9178192) is 7'-chloro-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 7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C1N(Cc2nnc(-c3ccccc3)o2)c2c(Cl)cccc2C12OCCO2.
What is the InChIKey of 7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is NHZQZJQIESBLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c20-14-8-4-7-13-16(14)23(18(24)19(13)25-9-10-26-19)11-15-21-22-17(27-15)12-5-2-1-3-6-12/h1-8H,9-11H2.
What are the key properties of 7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 383.79 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9178192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).