2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide

C14H15BrN2O2 — CID 114327857

IUPAC2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)C(C)(C)Br)cc2)co1
InChIInChI=1S/C14H15BrN2O2/c1-9-16-12(8-19-9)10-4-6-11(7-5-10)17-13(18)14(2,3)15/h4-8H,1-3H3,(H,17,18)
InChIKeyGOHPXPIJDAVOOA-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.76
Rot. Bonds3

About 2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide

2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide (PubChem CID 114327857) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
PubChem CID114327857
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)C(C)(C)Br)cc2)co1
InChIInChI=1S/C14H15BrN2O2/c1-9-16-12(8-19-9)10-4-6-11(7-5-10)17-13(18)14(2,3)15/h4-8H,1-3H3,(H,17,18)
InChIKeyGOHPXPIJDAVOOA-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid
CID 60942171
5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 60729952
1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide
CID 126816541
3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 60837809
5-hydroxy-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide
CID 79199388
4-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 80543333
2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 30823773
4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline
CID 43704914
2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 114328432
5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide
CID 104683963
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37243915
2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 59726235

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide (CID 114327857) is 2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide is Cc1nc(-c2ccc(NC(=O)C(C)(C)Br)cc2)co1.
What is the InChIKey of 2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide?
The InChIKey is GOHPXPIJDAVOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-16-12(8-19-9)10-4-6-11(7-5-10)17-13(18)14(2,3)15/h4-8H,1-3H3,(H,17,18).
What are the key properties of 2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide?
2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide has a molecular weight of 323.19 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 114327857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).