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

C13H12BrClN2O2 — CID 100757718

IUPAC4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cc(C)c(Br)c(Cl)c2)o1
InChIInChI=1S/C13H12BrClN2O2/c1-7-3-9(4-10(15)12(7)14)13(18)17-6-11-16-5-8(2)19-11/h3-5H,6H2,1-2H3,(H,17,18)
InChIKeyDIHMRYXPVXMRAR-UHFFFAOYSA-N
MW343.61 g/mol
LogP3.64
Rot. Bonds3

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

4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide (PubChem CID 100757718) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
PubChem CID100757718
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cc(C)c(Br)c(Cl)c2)o1
InChIInChI=1S/C13H12BrClN2O2/c1-7-3-9(4-10(15)12(7)14)13(18)17-6-11-16-5-8(2)19-11/h3-5H,6H2,1-2H3,(H,17,18)
InChIKeyDIHMRYXPVXMRAR-UHFFFAOYSA-N
XLogP3.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113339241
5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106375912
4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 103799883
2,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 104919948
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylbenzamide
CID 110660378
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110660300
3-acetamido-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 110660302
5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106368587
5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113246934
5-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-carboxamide
CID 114180964
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110660403
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide (CID 100757718) is 4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2cc(C)c(Br)c(Cl)c2)o1.
What is the InChIKey of 4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The InChIKey is DIHMRYXPVXMRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-7-3-9(4-10(15)12(7)14)13(18)17-6-11-16-5-8(2)19-11/h3-5H,6H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide has a molecular weight of 343.61 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 100757718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).