2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide

C14H15BrN2O2 — CID 110718625

IUPAC2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)Cc2ccc(Br)cc2)co1
InChIInChI=1S/C14H15BrN2O2/c1-10-17-13(9-19-10)6-7-16-14(18)8-11-2-4-12(15)5-3-11/h2-5,9H,6-8H2,1H3,(H,16,18)
InChIKeyJTWFAALFUSEQGE-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.65
Rot. Bonds5

About 2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide

2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide (PubChem CID 110718625) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
PubChem CID110718625
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)Cc2ccc(Br)cc2)co1
InChIInChI=1S/C14H15BrN2O2/c1-10-17-13(9-19-10)6-7-16-14(18)8-11-2-4-12(15)5-3-11/h2-5,9H,6-8H2,1H3,(H,16,18)
InChIKeyJTWFAALFUSEQGE-UHFFFAOYSA-N
XLogP2.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]butanamide
CID 110718533
N-[2-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-2-oxoethyl]benzamide
CID 110743047
methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate
CID 110718536
2-(4-fluorophenoxy)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110718630
2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 24533251
2,2-dimethyl-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]propanamide
CID 110718537
2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718546
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]propanamide
CID 110718606
3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 110836055
1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea
CID 110747852
2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502206
N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743046

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide (CID 110718625) is 2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide is Cc1nc(CCNC(=O)Cc2ccc(Br)cc2)co1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide?
The InChIKey is JTWFAALFUSEQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-10-17-13(9-19-10)6-7-16-14(18)8-11-2-4-12(15)5-3-11/h2-5,9H,6-8H2,1H3,(H,16,18).
What are the key properties of 2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide?
2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide has a molecular weight of 323.19 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 110718625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).