2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole

C13H9BrN2O2 — CID 95910527

IUPAC2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole
SMILESCOc1ccc2oc(-c3cncc(Br)c3)nc2c1
InChIInChI=1S/C13H9BrN2O2/c1-17-10-2-3-12-11(5-10)16-13(18-12)8-4-9(14)7-15-6-8/h2-7H,1H3
InChIKeySXPLCMJTIIYXBS-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.66
Rot. Bonds2

About 2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole

2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole (PubChem CID 95910527) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole
PubChem CID95910527
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole
SMILESCOc1ccc2oc(-c3cncc(Br)c3)nc2c1
InChIInChI=1S/C13H9BrN2O2/c1-17-10-2-3-12-11(5-10)16-13(18-12)8-4-9(14)7-15-6-8/h2-7H,1H3
InChIKeySXPLCMJTIIYXBS-UHFFFAOYSA-N
XLogP3.66
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole
CID 95909945
2-(5-bromo-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358149
2-bromo-5-methoxy-1,3-benzoxazole
CID 83382782
2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50874432
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 2980980
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide
CID 3804335
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-chloro-2-methoxybenzamide
CID 1395588
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 1422010
5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 118905169
3-(5-bromo-2-methoxyphenyl)-N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 1395820
5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole
CID 839464
4,6-dibromo-3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylaniline
CID 17274141

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole (CID 95910527) is 2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole is COc1ccc2oc(-c3cncc(Br)c3)nc2c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole?
The InChIKey is SXPLCMJTIIYXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c1-17-10-2-3-12-11(5-10)16-13(18-12)8-4-9(14)7-15-6-8/h2-7H,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole?
2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole has a molecular weight of 305.13 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole is sourced from PubChem (CID 95910527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).