5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole

C22H18N4O — CID 50975770

IUPAC5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole
SMILESCc1c(-c2c(-c3ccccc3)ncn2Cc2ccno2)[nH]c2ccccc12
InChIInChI=1S/C22H18N4O/c1-15-18-9-5-6-10-19(18)25-20(15)22-21(16-7-3-2-4-8-16)23-14-26(22)13-17-11-12-24-27-17/h2-12,14,25H,13H2,1H3
InChIKeyMFYMDMHDLLTZDJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.04
Rot. Bonds4

About 5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole

5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 50975770) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole
PubChem CID50975770
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole
SMILESCc1c(-c2c(-c3ccccc3)ncn2Cc2ccno2)[nH]c2ccccc12
InChIInChI=1S/C22H18N4O/c1-15-18-9-5-6-10-19(18)25-20(15)22-21(16-7-3-2-4-8-16)23-14-26(22)13-17-11-12-24-27-17/h2-12,14,25H,13H2,1H3
InChIKeyMFYMDMHDLLTZDJ-UHFFFAOYSA-N
XLogP5.04
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole (CID 50975770) is 5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole is Cc1c(-c2c(-c3ccccc3)ncn2Cc2ccno2)[nH]c2ccccc12.
What is the InChIKey of 5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is MFYMDMHDLLTZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-15-18-9-5-6-10-19(18)25-20(15)22-21(16-7-3-2-4-8-16)23-14-26(22)13-17-11-12-24-27-17/h2-12,14,25H,13H2,1H3.
What are the key properties of 5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole?
5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 354.41 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 50975770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).