7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole

C19H11BrN2O — CID 118256764

IUPAC7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole
SMILESBrc1ccc2c(c1)[nH]c1cc3oc(-c4ccccc4)nc3cc12
InChIInChI=1S/C19H11BrN2O/c20-12-6-7-13-14-9-17-18(10-16(14)21-15(13)8-12)23-19(22-17)11-4-2-1-3-5-11/h1-10,21H
InChIKeyUTEJKKJZOZEFDO-UHFFFAOYSA-N
MW363.21 g/mol
LogP5.89
Rot. Bonds1

About 7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole

7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole (PubChem CID 118256764) has the molecular formula C19H11BrN2O and a molecular weight of 363.21 g/mol. Its IUPAC name is 7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole.

Molecular Properties

Compound Name7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole
PubChem CID118256764
Molecular FormulaC19H11BrN2O
Molecular Weight363.21 g/mol
Exact Mass362.01
IUPAC Name7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole
SMILESBrc1ccc2c(c1)[nH]c1cc3oc(-c4ccccc4)nc3cc12
InChIInChI=1S/C19H11BrN2O/c20-12-6-7-13-14-9-17-18(10-16(14)21-15(13)8-12)23-19(22-17)11-4-2-1-3-5-11/h1-10,21H
InChIKeyUTEJKKJZOZEFDO-UHFFFAOYSA-N
XLogP5.89
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.21
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
CID 170716750
6-bromo-2-phenyl-9H-carbazole
CID 118493011
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole
CID 162202444
5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
6-chloro-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167128478
2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
CID 53497105
2-(4-bromophenyl)-6-iodo-1,3-benzoxazole
CID 172702567
CID 89035769
CID 89035769
4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228619
4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228593
6-(4-bromophenyl)-9-naphthalen-2-yl-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine
CID 162711576

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole?
The IUPAC name of 7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole (CID 118256764) is 7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole.
What is the SMILES notation for 7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole?
The canonical SMILES for 7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole is Brc1ccc2c(c1)[nH]c1cc3oc(-c4ccccc4)nc3cc12.
What is the InChIKey of 7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole?
The InChIKey is UTEJKKJZOZEFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrN2O/c20-12-6-7-13-14-9-17-18(10-16(14)21-15(13)8-12)23-19(22-17)11-4-2-1-3-5-11/h1-10,21H.
What are the key properties of 7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole?
7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole has a molecular weight of 363.21 g/mol, XLogP of 5.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole is sourced from PubChem (CID 118256764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).