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

C17H11ClN2O — CID 45276471

IUPAC2-(4-chlorophenyl)-4-(1H-indol-3-yl)-1,3-oxazole
SMILESClc1ccc(-c2nc(-c3c[nH]c4ccccc34)co2)cc1
InChIInChI=1S/C17H11ClN2O/c18-12-7-5-11(6-8-12)17-20-16(10-21-17)14-9-19-15-4-2-1-3-13(14)15/h1-10,19H
InChIKeyHUHLAWHEJRMVTD-UHFFFAOYSA-N
MW294.74 g/mol
LogP5.14
Rot. Bonds2

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

2-(4-chlorophenyl)-4-(1H-indol-3-yl)-1,3-oxazole (PubChem CID 45276471) has the molecular formula C17H11ClN2O and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(1H-indol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(1H-indol-3-yl)-1,3-oxazole
PubChem CID45276471
Molecular FormulaC17H11ClN2O
Molecular Weight294.74 g/mol
Exact Mass294.06
IUPAC Name2-(4-chlorophenyl)-4-(1H-indol-3-yl)-1,3-oxazole
SMILESClc1ccc(-c2nc(-c3c[nH]c4ccccc34)co2)cc1
InChIInChI=1S/C17H11ClN2O/c18-12-7-5-11(6-8-12)17-20-16(10-21-17)14-9-19-15-4-2-1-3-13(14)15/h1-10,19H
InChIKeyHUHLAWHEJRMVTD-UHFFFAOYSA-N
XLogP5.14
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.74
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(1H-indol-3-yl)-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-4-(1H-indol-3-yl)-1,3-oxazole (CID 45276471) is 2-(4-chlorophenyl)-4-(1H-indol-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(1H-indol-3-yl)-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-(1H-indol-3-yl)-1,3-oxazole is Clc1ccc(-c2nc(-c3c[nH]c4ccccc34)co2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(1H-indol-3-yl)-1,3-oxazole?
The InChIKey is HUHLAWHEJRMVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O/c18-12-7-5-11(6-8-12)17-20-16(10-21-17)14-9-19-15-4-2-1-3-13(14)15/h1-10,19H.
What are the key properties of 2-(4-chlorophenyl)-4-(1H-indol-3-yl)-1,3-oxazole?
2-(4-chlorophenyl)-4-(1H-indol-3-yl)-1,3-oxazole has a molecular weight of 294.74 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(1H-indol-3-yl)-1,3-oxazole is sourced from PubChem (CID 45276471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).