N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C12H8ClN3O2 — CID 60710472

IUPACN-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C12H8ClN3O2/c1-7-10(6-15-18-7)12(17)16-11-4-9(13)3-2-8(11)5-14/h2-4,6H,1H3,(H,16,17)
InChIKeyCHRWEAHKQGOKEW-UHFFFAOYSA-N
MW261.67 g/mol
LogP2.76
Rot. Bonds2

About N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 60710472) has the molecular formula C12H8ClN3O2 and a molecular weight of 261.67 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID60710472
Molecular FormulaC12H8ClN3O2
Molecular Weight261.67 g/mol
Exact Mass261.03
IUPAC NameN-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C12H8ClN3O2/c1-7-10(6-15-18-7)12(17)16-11-4-9(13)3-2-8(11)5-14/h2-4,6H,1H3,(H,16,17)
InChIKeyCHRWEAHKQGOKEW-UHFFFAOYSA-N
XLogP2.76
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 107798369
N-(5-chloro-2-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
CID 60628705
4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 81226633
2-chloro-N-(5-chloro-2-cyanophenyl)furan-3-carboxamide
CID 106684843
2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 106861258
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
3-chloro-N-(5-chloro-2-cyanophenyl)pyridine-4-carboxamide
CID 66463010
N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide
CID 81446338
2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide
CID 64914385
2-chloro-N-(5-chloro-2-cyanophenyl)-5-hydroxybenzamide
CID 106501019
N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 23853374
5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
CID 60628665

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 60710472) is N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is CHRWEAHKQGOKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2/c1-7-10(6-15-18-7)12(17)16-11-4-9(13)3-2-8(11)5-14/h2-4,6H,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 261.67 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 60710472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).