2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide

C14H15BrN2O2 — CID 91871870

IUPAC2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide
SMILESCCC(Br)C(=O)Nc1cc(-c2ccccc2C)no1
InChIInChI=1S/C14H15BrN2O2/c1-3-11(15)14(18)16-13-8-12(17-19-13)10-7-5-4-6-9(10)2/h4-8,11H,3H2,1-2H3,(H,16,18)
InChIKeyWALSPGOARMKIKO-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.76
Rot. Bonds4

About 2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide

2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide (PubChem CID 91871870) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide
PubChem CID91871870
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide
SMILESCCC(Br)C(=O)Nc1cc(-c2ccccc2C)no1
InChIInChI=1S/C14H15BrN2O2/c1-3-11(15)14(18)16-13-8-12(17-19-13)10-7-5-4-6-9(10)2/h4-8,11H,3H2,1-2H3,(H,16,18)
InChIKeyWALSPGOARMKIKO-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide?
The IUPAC name of 2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide (CID 91871870) is 2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide.
What is the SMILES notation for 2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide?
The canonical SMILES for 2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide is CCC(Br)C(=O)Nc1cc(-c2ccccc2C)no1.
What is the InChIKey of 2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide?
The InChIKey is WALSPGOARMKIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-3-11(15)14(18)16-13-8-12(17-19-13)10-7-5-4-6-9(10)2/h4-8,11H,3H2,1-2H3,(H,16,18).
What are the key properties of 2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide?
2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide has a molecular weight of 323.19 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide is sourced from PubChem (CID 91871870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).