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

C17H12N2O — CID 45276296

IUPAC4-(1H-indol-3-yl)-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3c[nH]c4ccccc34)co2)cc1
InChIInChI=1S/C17H12N2O/c1-2-6-12(7-3-1)17-19-16(11-20-17)14-10-18-15-9-5-4-8-13(14)15/h1-11,18H
InChIKeyKAYMBAWBZYWPRR-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.49
Rot. Bonds2

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

4-(1H-indol-3-yl)-2-phenyl-1,3-oxazole (PubChem CID 45276296) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2-phenyl-1,3-oxazole
PubChem CID45276296
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name4-(1H-indol-3-yl)-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3c[nH]c4ccccc34)co2)cc1
InChIInChI=1S/C17H12N2O/c1-2-6-12(7-3-1)17-19-16(11-20-17)14-10-18-15-9-5-4-8-13(14)15/h1-11,18H
InChIKeyKAYMBAWBZYWPRR-UHFFFAOYSA-N
XLogP4.49
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(1H-indol-3-yl)-2-phenyl-1,3-oxazole (CID 45276296) is 4-(1H-indol-3-yl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(1H-indol-3-yl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(1H-indol-3-yl)-2-phenyl-1,3-oxazole is c1ccc(-c2nc(-c3c[nH]c4ccccc34)co2)cc1.
What is the InChIKey of 4-(1H-indol-3-yl)-2-phenyl-1,3-oxazole?
The InChIKey is KAYMBAWBZYWPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-2-6-12(7-3-1)17-19-16(11-20-17)14-10-18-15-9-5-4-8-13(14)15/h1-11,18H.
What are the key properties of 4-(1H-indol-3-yl)-2-phenyl-1,3-oxazole?
4-(1H-indol-3-yl)-2-phenyl-1,3-oxazole has a molecular weight of 260.30 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 45276296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).