1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]

C22H20N2O4 — CID 86609007

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESCc1noc(C)c1CN1CC2(COc3cc4c(cc32)OCO4)c2ccccc21
InChIInChI=1S/C22H20N2O4/c1-13-15(14(2)28-23-13)9-24-10-22(16-5-3-4-6-18(16)24)11-25-19-8-21-20(7-17(19)22)26-12-27-21/h3-8H,9-12H2,1-2H3
InChIKeyGKGNASJZCIIQEK-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.72
Rot. Bonds2

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] (PubChem CID 86609007) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole].

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
PubChem CID86609007
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESCc1noc(C)c1CN1CC2(COc3cc4c(cc32)OCO4)c2ccccc21
InChIInChI=1S/C22H20N2O4/c1-13-15(14(2)28-23-13)9-24-10-22(16-5-3-4-6-18(16)24)11-25-19-8-21-20(7-17(19)22)26-12-27-21/h3-8H,9-12H2,1-2H3
InChIKeyGKGNASJZCIIQEK-UHFFFAOYSA-N
XLogP3.72
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 90802978
1-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 67357105
1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
CID 150217407
1'-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59352391
3-(1,3-benzodioxol-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-indol-2-one
CID 126474923
4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole
CID 83510648
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80576163
4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
CID 68879522
[(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
CID 72905415
2-(1,3-benzodioxol-5-yl)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 97472986
spiro[6H-furo[2,3-f][1,3]benzodioxole-7,4'-imidazo[1,2-a]indole]
CID 24768602
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110731011

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] (CID 86609007) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole].
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] is Cc1noc(C)c1CN1CC2(COc3cc4c(cc32)OCO4)c2ccccc21.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The InChIKey is GKGNASJZCIIQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-13-15(14(2)28-23-13)9-24-10-22(16-5-3-4-6-18(16)24)11-25-19-8-21-20(7-17(19)22)26-12-27-21/h3-8H,9-12H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] has a molecular weight of 376.41 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] is sourced from PubChem (CID 86609007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).