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

C14H15BrN2O2 — CID 113338807

IUPAC4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(Br)c(C)c2)no1
InChIInChI=1S/C14H15BrN2O2/c1-9-6-11(4-5-13(9)15)14(18)17(3)8-12-7-10(2)19-16-12/h4-7H,8H2,1-3H3
InChIKeyHPDRQJCDNFUOAV-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.33
Rot. Bonds3

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

4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 113338807) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID113338807
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(Br)c(C)c2)no1
InChIInChI=1S/C14H15BrN2O2/c1-9-6-11(4-5-13(9)15)14(18)17(3)8-12-7-10(2)19-16-12/h4-7H,8H2,1-3H3
InChIKeyHPDRQJCDNFUOAV-UHFFFAOYSA-N
XLogP3.33
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
CID 61292900
4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 38880738
4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 86929112
6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 103875136
1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide
CID 47055119
4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide
CID 115770194
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 60753578
4-bromo-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 113339204
3-amino-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 43587238
5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 38881006
4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
CID 107205681
4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 115769521

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (CID 113338807) is 4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is Cc1cc(CN(C)C(=O)c2ccc(Br)c(C)c2)no1.
What is the InChIKey of 4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is HPDRQJCDNFUOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-6-11(4-5-13(9)15)14(18)17(3)8-12-7-10(2)19-16-12/h4-7H,8H2,1-3H3.
What are the key properties of 4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 323.19 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 113338807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).