5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole

C15H11BrN2O — CID 103999577

IUPAC5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole
SMILESBrc1ccc2oc(-c3ccc4c(c3)CNC4)nc2c1
InChIInChI=1S/C15H11BrN2O/c16-12-3-4-14-13(6-12)18-15(19-14)9-1-2-10-7-17-8-11(10)5-9/h1-6,17H,7-8H2
InChIKeyCMAQZFQOBLGTSO-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.86
Rot. Bonds1

About 5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole

5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole (PubChem CID 103999577) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole
PubChem CID103999577
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole
SMILESBrc1ccc2oc(-c3ccc4c(c3)CNC4)nc2c1
InChIInChI=1S/C15H11BrN2O/c16-12-3-4-14-13(6-12)18-15(19-14)9-1-2-10-7-17-8-11(10)5-9/h1-6,17H,7-8H2
InChIKeyCMAQZFQOBLGTSO-UHFFFAOYSA-N
XLogP3.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromo-1,3-benzoxazol-2-yl)benzene-1,3-diamine
CID 114003786
5-bromo-2-(3-tert-butylphenyl)-1,3-benzoxazole
CID 172609477
5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole
CID 169336974
CID 89035769
CID 89035769
3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
CID 142897927
2,5-bis(5-bromo-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 142681394
5-bromo-2-(3-nitrophenyl)-1,3-benzoxazole
CID 177345342
5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
CID 169336838
[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
CID 83949668
4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228619
5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
CID 102993845
2-(4-bromophenyl)-5-(1,4-diazepan-1-ylmethyl)-1,3-benzoxazole
CID 112719850

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole?
The IUPAC name of 5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole (CID 103999577) is 5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole is Brc1ccc2oc(-c3ccc4c(c3)CNC4)nc2c1.
What is the InChIKey of 5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole?
The InChIKey is CMAQZFQOBLGTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-12-3-4-14-13(6-12)18-15(19-14)9-1-2-10-7-17-8-11(10)5-9/h1-6,17H,7-8H2.
What are the key properties of 5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole?
5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole has a molecular weight of 315.17 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 103999577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).