3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one

C25H20N2O3 — CID 71036067

IUPAC3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one
SMILESCc1ccc(CN2C(=O)C3(COc4cc5onc(C)c5cc43)c3ccccc32)cc1
InChIInChI=1S/C25H20N2O3/c1-15-7-9-17(10-8-15)13-27-21-6-4-3-5-19(21)25(24(27)28)14-29-23-12-22-18(11-20(23)25)16(2)26-30-22/h3-12H,13-14H2,1-2H3
InChIKeyLEMSNXZGXKQHAJ-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.67
Rot. Bonds2

About 3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one

3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one (PubChem CID 71036067) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one.

Molecular Properties

Compound Name3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one
PubChem CID71036067
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one
SMILESCc1ccc(CN2C(=O)C3(COc4cc5onc(C)c5cc43)c3ccccc32)cc1
InChIInChI=1S/C25H20N2O3/c1-15-7-9-17(10-8-15)13-27-21-6-4-3-5-19(21)25(24(27)28)14-29-23-12-22-18(11-20(23)25)16(2)26-30-22/h3-12H,13-14H2,1-2H3
InChIKeyLEMSNXZGXKQHAJ-UHFFFAOYSA-N
XLogP4.67
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[2,3-f][1,2]benzoxazole-7,3'-indole]-2'-one
CID 71036085
1'-[[4-(3-amino-1H-pyrazol-5-yl)phenyl]methyl]-3-methylspiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one;hydrochloride
CID 68601632
1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 71036161
1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one
CID 158624022
1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642329
1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263445
4-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzoyl chloride
CID 87087377
5,5-dimethyl-1'-(pyridin-3-ylmethyl)spiro[2,6-dihydrofuro[3,2-f][1]benzofuran-3,3'-indole]-2'-one;hydrochloride
CID 66642694
1'-[(1-methyl-6-oxo-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263496
1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 162011273
1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263375
1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352459

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one?
The IUPAC name of 3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one (CID 71036067) is 3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one.
What is the SMILES notation for 3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one?
The canonical SMILES for 3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one is Cc1ccc(CN2C(=O)C3(COc4cc5onc(C)c5cc43)c3ccccc32)cc1.
What is the InChIKey of 3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one?
The InChIKey is LEMSNXZGXKQHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-15-7-9-17(10-8-15)13-27-21-6-4-3-5-19(21)25(24(27)28)14-29-23-12-22-18(11-20(23)25)16(2)26-30-22/h3-12H,13-14H2,1-2H3.
What are the key properties of 3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one?
3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one has a molecular weight of 396.45 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one is sourced from PubChem (CID 71036067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).