6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide

C14H12BrN3O3 — CID 66921895

IUPAC6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide
SMILESCc1cccc(C(N)=O)c1.O=c1[nH]c2ncc(Br)cc2o1
InChIInChI=1S/C8H9NO.C6H3BrN2O2/c1-6-3-2-4-7(5-6)8(9)10;7-3-1-4-5(8-2-3)9-6(10)11-4/h2-5H,1H3,(H2,9,10);1-2H,(H,8,9,10)
InChIKeyOYAOFXUUZKBIGL-UHFFFAOYSA-N
MW350.17 g/mol
LogP2.37
Rot. Bonds1

About 6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide

6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide (PubChem CID 66921895) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide.

Molecular Properties

Compound Name6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide
PubChem CID66921895
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide
SMILESCc1cccc(C(N)=O)c1.O=c1[nH]c2ncc(Br)cc2o1
InChIInChI=1S/C8H9NO.C6H3BrN2O2/c1-6-3-2-4-7(5-6)8(9)10;7-3-1-4-5(8-2-3)9-6(10)11-4/h2-5H,1H3,(H2,9,10);1-2H,(H,8,9,10)
InChIKeyOYAOFXUUZKBIGL-UHFFFAOYSA-N
XLogP2.37
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylbenzamide;2-methylpropane
CID 160767336
argon;ethane;3-methylbenzamide;molecular hydrogen
CID 144862945
2-chloro-5-methylpyridine;ethane;3-methylbenzamide
CID 142196503
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786718
N-(5-bromo-3-pyridinyl)-3-methylbenzamide
CID 110869014
3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076261
N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774011
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
tert-butyl (E)-3-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)prop-2-enoate
CID 59456950
3-(6-bromo-1,3-benzoxazol-2-yl)benzamide
CID 23025706
3-methylbenzenecarboselenoic Se-acid
CID 166513879

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide?
The IUPAC name of 6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide (CID 66921895) is 6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide.
What is the SMILES notation for 6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide?
The canonical SMILES for 6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide is Cc1cccc(C(N)=O)c1.O=c1[nH]c2ncc(Br)cc2o1.
What is the InChIKey of 6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide?
The InChIKey is OYAOFXUUZKBIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C6H3BrN2O2/c1-6-3-2-4-7(5-6)8(9)10;7-3-1-4-5(8-2-3)9-6(10)11-4/h2-5H,1H3,(H2,9,10);1-2H,(H,8,9,10).
What are the key properties of 6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide?
6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide has a molecular weight of 350.17 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide is sourced from PubChem (CID 66921895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).