N-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide

C11H11BrN2O2 — CID 122158303

IUPACN-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1nc2cc(Br)ccc2o1
InChIInChI=1S/C11H11BrN2O2/c1-2-10(15)13-6-11-14-8-5-7(12)3-4-9(8)16-11/h3-5H,2,6H2,1H3,(H,13,15)
InChIKeyTZNCZNPMIHCVQT-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.62
Rot. Bonds3

About N-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide

N-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide (PubChem CID 122158303) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is N-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide
PubChem CID122158303
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC NameN-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1nc2cc(Br)ccc2o1
InChIInChI=1S/C11H11BrN2O2/c1-2-10(15)13-6-11-14-8-5-7(12)3-4-9(8)16-11/h3-5H,2,6H2,1H3,(H,13,15)
InChIKeyTZNCZNPMIHCVQT-UHFFFAOYSA-N
XLogP2.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(chloromethyl)-1,3-benzoxazole
CID 14204208
N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 67191892
5-[[(5-bromo-1,3-benzoxazol-2-yl)methylamino]methyl]pyrrolidin-2-one
CID 166151485
N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide
CID 110711685
methyl 2-(ethylaminomethyl)-1,3-benzoxazole-5-carboxylate
CID 83949095
methyl 4-(5-bromo-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate
CID 135155937
1-(5-bromo-1,3-benzoxazol-2-yl)-2-chloroethanone
CID 131056023
tert-butyl N-[2-[(5-bromo-1,3-benzoxazol-2-yl)amino]ethyl]carbamate
CID 162755847
N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 122141703
5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113226313
N-(2-bromoethyl)-2-(5-methyl-1,3-benzoxazol-2-yl)acetamide
CID 54122602
N-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethyl-1,3-benzoxazole-5-carboxamide
CID 135517429

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide?
The IUPAC name of N-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide (CID 122158303) is N-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide?
The canonical SMILES for N-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide is CCC(=O)NCc1nc2cc(Br)ccc2o1.
What is the InChIKey of N-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide?
The InChIKey is TZNCZNPMIHCVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-2-10(15)13-6-11-14-8-5-7(12)3-4-9(8)16-11/h3-5H,2,6H2,1H3,(H,13,15).
What are the key properties of N-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide?
N-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide has a molecular weight of 283.12 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-1,3-benzoxazol-2-yl)methyl]propanamide is sourced from PubChem (CID 122158303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).