N-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide

C12H11BrClN3O2 — CID 146144344

IUPACN-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nnc(C(=O)N(C)Cc2cc(Br)ccc2Cl)o1
InChIInChI=1S/C12H11BrClN3O2/c1-7-15-16-11(19-7)12(18)17(2)6-8-5-9(13)3-4-10(8)14/h3-5H,6H2,1-2H3
InChIKeyRYDXFDPPULCTDN-UHFFFAOYSA-N
MW344.60 g/mol
LogP3.07
Rot. Bonds3

About N-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide

N-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 146144344) has the molecular formula C12H11BrClN3O2 and a molecular weight of 344.60 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID146144344
Molecular FormulaC12H11BrClN3O2
Molecular Weight344.60 g/mol
Exact Mass342.97
IUPAC NameN-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nnc(C(=O)N(C)Cc2cc(Br)ccc2Cl)o1
InChIInChI=1S/C12H11BrClN3O2/c1-7-15-16-11(19-7)12(18)17(2)6-8-5-9(13)3-4-10(8)14/h3-5H,6H2,1-2H3
InChIKeyRYDXFDPPULCTDN-UHFFFAOYSA-N
XLogP3.07
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924736
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide
CID 107236575
5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 79003905
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
4-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylbenzamide
CID 115161027
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43549722
N-[(5-bromo-2-methoxyphenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 31152479
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 35977920

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide (CID 146144344) is N-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide is Cc1nnc(C(=O)N(C)Cc2cc(Br)ccc2Cl)o1.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is RYDXFDPPULCTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2/c1-7-15-16-11(19-7)12(18)17(2)6-8-5-9(13)3-4-10(8)14/h3-5H,6H2,1-2H3.
What are the key properties of N-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide?
N-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 344.60 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 146144344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).