5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole

C22H18N2O2 — CID 135518262

IUPAC5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole
SMILESCc1cccc2c(-c3ccccc3)c(C3=NOC(c4ccco4)C3)[nH]c12
InChIInChI=1S/C22H18N2O2/c1-14-7-5-10-16-20(15-8-3-2-4-9-15)22(23-21(14)16)17-13-19(26-24-17)18-11-6-12-25-18/h2-12,19,23H,13H2,1H3
InChIKeyXRUURJXVLFNTMZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.60
Rot. Bonds3

About 5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole

5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 135518262) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole
PubChem CID135518262
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole
SMILESCc1cccc2c(-c3ccccc3)c(C3=NOC(c4ccco4)C3)[nH]c12
InChIInChI=1S/C22H18N2O2/c1-14-7-5-10-16-20(15-8-3-2-4-9-15)22(23-21(14)16)17-13-19(26-24-17)18-11-6-12-25-18/h2-12,19,23H,13H2,1H3
InChIKeyXRUURJXVLFNTMZ-UHFFFAOYSA-N
XLogP5.60
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole (CID 135518262) is 5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole is Cc1cccc2c(-c3ccccc3)c(C3=NOC(c4ccco4)C3)[nH]c12.
What is the InChIKey of 5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is XRUURJXVLFNTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-7-5-10-16-20(15-8-3-2-4-9-15)22(23-21(14)16)17-13-19(26-24-17)18-11-6-12-25-18/h2-12,19,23H,13H2,1H3.
What are the key properties of 5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole?
5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 342.40 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 135518262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).