4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole

C26H25N3O — CID 123698298

IUPAC4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole
SMILESCc1cccc2c1C=NC2.Cc1cccc2c1N=CC2.Cc1cccc2ocnc12
InChIInChI=1S/2C9H9N.C8H7NO/c1-7-3-2-4-8-5-10-6-9(7)8;1-7-3-2-4-8-5-6-10-9(7)8;1-6-3-2-4-7-8(6)9-5-10-7/h2*2-4,6H,5H2,1H3;2-5H,1H3
InChIKeyORGFELFETCIBDO-UHFFFAOYSA-N
MW395.51 g/mol
LogP6.32
Rot. Bonds

About 4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole

4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole (PubChem CID 123698298) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole.

Molecular Properties

Compound Name4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole
PubChem CID123698298
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole
SMILESCc1cccc2c1C=NC2.Cc1cccc2c1N=CC2.Cc1cccc2ocnc12
InChIInChI=1S/2C9H9N.C8H7NO/c1-7-3-2-4-8-5-10-6-9(7)8;1-7-3-2-4-8-5-6-10-9(7)8;1-6-3-2-4-7-8(6)9-5-10-7/h2*2-4,6H,5H2,1H3;2-5H,1H3
InChIKeyORGFELFETCIBDO-UHFFFAOYSA-N
XLogP6.32
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole 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

((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-[2-(2-methyl-benzooxazol-6-yl)-ethyl]-amine
CID 10499020
(2-Benzooxazol-5-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10617854
(2-Benzooxazol-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10641613
N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide
CID 10967169
[4-(1,3-Benzoxazol-5-yl)-2,3-dihydroindol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone
CID 168287761
Isopseudopteroxazole
CID 56597487
Pseudopteroxazole
CID 6475529
(1R,3aR,4S,6R)-1,4,7-trimethyl-6-(2-methylprop-1-enyl)-2,3,3a,4,5,6-hexahydro-1H-phenaleno[2,1-d][1,3]oxazole
CID 477493
7-Methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine
CID 118711273
2-[3-(5-Methoxy-3-pyridyl)phenyl]-1,3-benzoxazole-4-carboxamide
CID 71819278
(6R,9S)-6-[(1S)-1,5-dimethylhex-4-enyl]-4,9-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzoxazole
CID 470319
6-Methylbenzoxazole
CID 2724969

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole?
The IUPAC name of 4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole (CID 123698298) is 4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole.
What is the SMILES notation for 4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole?
The canonical SMILES for 4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole is Cc1cccc2c1C=NC2.Cc1cccc2c1N=CC2.Cc1cccc2ocnc12.
What is the InChIKey of 4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole?
The InChIKey is ORGFELFETCIBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H9N.C8H7NO/c1-7-3-2-4-8-5-10-6-9(7)8;1-7-3-2-4-8-5-6-10-9(7)8;1-6-3-2-4-7-8(6)9-5-10-7/h2*2-4,6H,5H2,1H3;2-5H,1H3.
What are the key properties of 4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole?
4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole has a molecular weight of 395.51 g/mol, XLogP of 6.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-benzoxazole;7-methyl-3H-indole;4-methyl-1H-isoindole is sourced from PubChem (CID 123698298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).