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

C11H11BrN2O2 — CID 107903105

IUPAC2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(NC(=O)C(C)Br)ccc2o1
InChIInChI=1S/C11H11BrN2O2/c1-6(12)11(15)14-8-3-4-10-9(5-8)13-7(2)16-10/h3-6H,1-2H3,(H,14,15)
InChIKeyZTNPGXFEDALJOO-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.86
Rot. Bonds2

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

2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 107903105) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID107903105
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(NC(=O)C(C)Br)ccc2o1
InChIInChI=1S/C11H11BrN2O2/c1-6(12)11(15)14-8-3-4-10-9(5-8)13-7(2)16-10/h3-6H,1-2H3,(H,14,15)
InChIKeyZTNPGXFEDALJOO-UHFFFAOYSA-N
XLogP2.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
3-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide;dihydrochloride
CID 120502568
(2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 25474142
(2R)-N-(4-methoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25349306
(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25354769
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 26684004
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
CID 115286986
(2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
CID 39951551
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474428
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (CID 107903105) is 2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is Cc1nc2cc(NC(=O)C(C)Br)ccc2o1.
What is the InChIKey of 2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is ZTNPGXFEDALJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-6(12)11(15)14-8-3-4-10-9(5-8)13-7(2)16-10/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 283.12 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 107903105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).