2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole

C18H14N2O — CID 45276470

IUPAC2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole
SMILESc1ccc(Cc2nc(-c3c[nH]c4ccccc34)co2)cc1
InChIInChI=1S/C18H14N2O/c1-2-6-13(7-3-1)10-18-20-17(12-21-18)15-11-19-16-9-5-4-8-14(15)16/h1-9,11-12,19H,10H2
InChIKeyONYOUIXAGMHUFM-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.41
Rot. Bonds3

About 2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole

2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole (PubChem CID 45276470) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole
PubChem CID45276470
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole
SMILESc1ccc(Cc2nc(-c3c[nH]c4ccccc34)co2)cc1
InChIInChI=1S/C18H14N2O/c1-2-6-13(7-3-1)10-18-20-17(12-21-18)15-11-19-16-9-5-4-8-14(15)16/h1-9,11-12,19H,10H2
InChIKeyONYOUIXAGMHUFM-UHFFFAOYSA-N
XLogP4.41
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole?
The IUPAC name of 2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole (CID 45276470) is 2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole?
The canonical SMILES for 2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole is c1ccc(Cc2nc(-c3c[nH]c4ccccc34)co2)cc1.
What is the InChIKey of 2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole?
The InChIKey is ONYOUIXAGMHUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)10-18-20-17(12-21-18)15-11-19-16-9-5-4-8-14(15)16/h1-9,11-12,19H,10H2.
What are the key properties of 2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole?
2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole has a molecular weight of 274.32 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(1H-indol-3-yl)-1,3-oxazole is sourced from PubChem (CID 45276470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).