2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide

C14H14Br2N2O2 — CID 114371641

IUPAC2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H14Br2N2O2/c1-8-12(9(2)20-17-8)7-18(3)14(19)11-6-10(15)4-5-13(11)16/h4-6H,7H2,1-3H3
InChIKeyLMFUCZDKNSANMZ-UHFFFAOYSA-N
MW402.09 g/mol
LogP4.09
Rot. Bonds3

About 2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide

2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide (PubChem CID 114371641) has the molecular formula C14H14Br2N2O2 and a molecular weight of 402.09 g/mol. Its IUPAC name is 2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
PubChem CID114371641
Molecular FormulaC14H14Br2N2O2
Molecular Weight402.09 g/mol
Exact Mass399.94
IUPAC Name2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H14Br2N2O2/c1-8-12(9(2)20-17-8)7-18(3)14(19)11-6-10(15)4-5-13(11)16/h4-6H,7H2,1-3H3
InChIKeyLMFUCZDKNSANMZ-UHFFFAOYSA-N
XLogP4.09
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.09
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 79720001
2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 55653157
3,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103907755
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336
2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 61109940
3-bromo-5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103826474
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378051
2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
CID 114367825
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
CID 114375651
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543
2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 114368349

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
The IUPAC name of 2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide (CID 114371641) is 2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide is Cc1noc(C)c1CN(C)C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
The InChIKey is LMFUCZDKNSANMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2/c1-8-12(9(2)20-17-8)7-18(3)14(19)11-6-10(15)4-5-13(11)16/h4-6H,7H2,1-3H3.
What are the key properties of 2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide has a molecular weight of 402.09 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 114371641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).