4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide

C13H10BrF3N2O2 — CID 103799883

IUPAC4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCc1cnc(CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)o1
InChIInChI=1S/C13H10BrF3N2O2/c1-7-5-18-11(21-7)6-19-12(20)8-2-3-10(14)9(4-8)13(15,16)17/h2-5H,6H2,1H3,(H,19,20)
InChIKeyLXYHHPSAOSXOPM-UHFFFAOYSA-N
MW363.13 g/mol
LogP3.69
Rot. Bonds3

About 4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide

4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 103799883) has the molecular formula C13H10BrF3N2O2 and a molecular weight of 363.13 g/mol. Its IUPAC name is 4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID103799883
Molecular FormulaC13H10BrF3N2O2
Molecular Weight363.13 g/mol
Exact Mass361.99
IUPAC Name4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCc1cnc(CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)o1
InChIInChI=1S/C13H10BrF3N2O2/c1-7-5-18-11(21-7)6-19-12(20)8-2-3-10(14)9(4-8)13(15,16)17/h2-5H,6H2,1H3,(H,19,20)
InChIKeyLXYHHPSAOSXOPM-UHFFFAOYSA-N
XLogP3.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.13
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 104919948
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110660300
5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106368587
4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448578
5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106375912
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylbenzamide
CID 110660378
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448940
4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842
3-acetamido-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 110660302
4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 100757718
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376120
4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-nitrobenzamide
CID 71864161

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide (CID 103799883) is 4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide is Cc1cnc(CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)o1.
What is the InChIKey of 4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is LXYHHPSAOSXOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O2/c1-7-5-18-11(21-7)6-19-12(20)8-2-3-10(14)9(4-8)13(15,16)17/h2-5H,6H2,1H3,(H,19,20).
What are the key properties of 4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide?
4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 363.13 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 103799883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).