N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide

C18H13ClN2O3 — CID 30402995

IUPACN-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)co1
InChIInChI=1S/C18H13ClN2O3/c1-11-20-16(10-24-11)18(23)21-15-8-7-13(19)9-14(15)17(22)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,23)
InChIKeyVVESGNGDHSYSRI-UHFFFAOYSA-N
MW340.77 g/mol
LogP4.12
Rot. Bonds4

About N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide

N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 30402995) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID30402995
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)co1
InChIInChI=1S/C18H13ClN2O3/c1-11-20-16(10-24-11)18(23)21-15-8-7-13(19)9-14(15)17(22)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,23)
InChIKeyVVESGNGDHSYSRI-UHFFFAOYSA-N
XLogP4.12
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 19475558
N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794292
N-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402806
N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide
CID 3500532
N-(2-benzoyl-4-chlorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281510
N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide
CID 7126144
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide (CID 30402995) is N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)co1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is VVESGNGDHSYSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c1-11-20-16(10-24-11)18(23)21-15-8-7-13(19)9-14(15)17(22)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,23).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 340.77 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 30402995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).