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

C13H11N3O3 — CID 110681138

IUPACN-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C#N)cc2)c(=O)on1C
InChIInChI=1S/C13H11N3O3/c1-8-11(13(18)19-16(8)2)12(17)15-10-5-3-9(7-14)4-6-10/h3-6H,1-2H3,(H,15,17)
InChIKeyJWOFYPHMWQTCFA-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.41
Rot. Bonds2

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

N-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide (PubChem CID 110681138) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
PubChem CID110681138
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C#N)cc2)c(=O)on1C
InChIInChI=1S/C13H11N3O3/c1-8-11(13(18)19-16(8)2)12(17)15-10-5-3-9(7-14)4-6-10/h3-6H,1-2H3,(H,15,17)
InChIKeyJWOFYPHMWQTCFA-UHFFFAOYSA-N
XLogP1.41
TPSA88.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 110699384
4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35591222
N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110681047
N-(4-cyanophenyl)furan-3-carboxamide
CID 24701301
N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
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N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110681059
N-(4-cyanophenyl)-2-fluoro-6-hydroxybenzamide
CID 104917041
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126494635
N-(4-cyanophenyl)-2-hydroxy-5-methylbenzamide
CID 5274068
5-acetamido-N-(4-cyanophenyl)furan-2-carboxamide
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N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide (CID 110681138) is N-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(C#N)cc2)c(=O)on1C.
What is the InChIKey of N-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The InChIKey is JWOFYPHMWQTCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-8-11(13(18)19-16(8)2)12(17)15-10-5-3-9(7-14)4-6-10/h3-6H,1-2H3,(H,15,17).
What are the key properties of N-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
N-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110681138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).