2-(4-indol-1-ylphenyl)-1,3-benzoxazole

C21H14N2O — CID 150646214

IUPAC2-(4-indol-1-ylphenyl)-1,3-benzoxazole
SMILESc1ccc2c(c1)ccn2-c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C21H14N2O/c1-3-7-19-15(5-1)13-14-23(19)17-11-9-16(10-12-17)21-22-18-6-2-4-8-20(18)24-21/h1-14H
InChIKeyJAYAJDQSSRPGOA-UHFFFAOYSA-N
MW310.36 g/mol
LogP5.44
Rot. Bonds2

About 2-(4-indol-1-ylphenyl)-1,3-benzoxazole

2-(4-indol-1-ylphenyl)-1,3-benzoxazole (PubChem CID 150646214) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(4-indol-1-ylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-indol-1-ylphenyl)-1,3-benzoxazole
PubChem CID150646214
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name2-(4-indol-1-ylphenyl)-1,3-benzoxazole
SMILESc1ccc2c(c1)ccn2-c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C21H14N2O/c1-3-7-19-15(5-1)13-14-23(19)17-11-9-16(10-12-17)21-22-18-6-2-4-8-20(18)24-21/h1-14H
InChIKeyJAYAJDQSSRPGOA-UHFFFAOYSA-N
XLogP5.44
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-indol-1-ylphenyl)aniline
CID 166922197
2-(4-pyrrol-1-ylphenyl)-1,3-benzoxazole
CID 91677444
10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one
CID 118335134
2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole
CID 129040223
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole
CID 58489486
2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole
CID 157498338
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
2-[4-(25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaen-9-yl)phenyl]-1,3-benzoxazole
CID 144696804
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 171851966

Frequently Asked Questions

What is the IUPAC name of 2-(4-indol-1-ylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(4-indol-1-ylphenyl)-1,3-benzoxazole (CID 150646214) is 2-(4-indol-1-ylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-indol-1-ylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-indol-1-ylphenyl)-1,3-benzoxazole is c1ccc2c(c1)ccn2-c1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of 2-(4-indol-1-ylphenyl)-1,3-benzoxazole?
The InChIKey is JAYAJDQSSRPGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/c1-3-7-19-15(5-1)13-14-23(19)17-11-9-16(10-12-17)21-22-18-6-2-4-8-20(18)24-21/h1-14H.
What are the key properties of 2-(4-indol-1-ylphenyl)-1,3-benzoxazole?
2-(4-indol-1-ylphenyl)-1,3-benzoxazole has a molecular weight of 310.36 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-indol-1-ylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 150646214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).