N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C13H10BrN3O2 — CID 82708535

IUPACN-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(Br)cc2C#N)o1
InChIInChI=1S/C13H10BrN3O2/c1-7-12(19-8(2)16-7)13(18)17-11-4-3-10(14)5-9(11)6-15/h3-5H,1-2H3,(H,17,18)
InChIKeyFVEHADDVHUKVLS-UHFFFAOYSA-N
MW320.15 g/mol
LogP3.18
Rot. Bonds2

About N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 82708535) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID82708535
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC NameN-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(Br)cc2C#N)o1
InChIInChI=1S/C13H10BrN3O2/c1-7-12(19-8(2)16-7)13(18)17-11-4-3-10(14)5-9(11)6-15/h3-5H,1-2H3,(H,17,18)
InChIKeyFVEHADDVHUKVLS-UHFFFAOYSA-N
XLogP3.18
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113247217
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82697347
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434
N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide
CID 107675930
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
N-(2-bromo-5-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113249343
(4-bromo-2-cyanophenyl)urea
CID 82708837
2-amino-N-(4-bromo-2-cyanophenyl)-2-methylpropanamide
CID 82707939
N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026171
3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide
CID 81498968
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797
2-amino-N-(5-bromo-2-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107798285

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 82708535) is N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(Br)cc2C#N)o1.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is FVEHADDVHUKVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c1-7-12(19-8(2)16-7)13(18)17-11-4-3-10(14)5-9(11)6-15/h3-5H,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 320.15 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 82708535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).