2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide

C19H14ClN3O2 — CID 110428440

IUPAC2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide
SMILESCc1oc(-c2ccccc2Cl)nc1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H14ClN3O2/c1-12-17(23-19(25-12)15-7-2-3-8-16(15)20)10-18(24)22-14-6-4-5-13(9-14)11-21/h2-9H,10H2,1H3,(H,22,24)
InChIKeyVVBGFKZTJHXRCA-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.36
Rot. Bonds4

About 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide

2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide (PubChem CID 110428440) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide
PubChem CID110428440
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide
SMILESCc1oc(-c2ccccc2Cl)nc1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H14ClN3O2/c1-12-17(23-19(25-12)15-7-2-3-8-16(15)20)10-18(24)22-14-6-4-5-13(9-14)11-21/h2-9H,10H2,1H3,(H,22,24)
InChIKeyVVBGFKZTJHXRCA-UHFFFAOYSA-N
XLogP4.36
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110424245
methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110424102
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 110425941
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 110425935
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 17425777
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)acetamide
CID 84601558
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
N-(3,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356063
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide
CID 9269727

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide (CID 110428440) is 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide is Cc1oc(-c2ccccc2Cl)nc1CC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide?
The InChIKey is VVBGFKZTJHXRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c1-12-17(23-19(25-12)15-7-2-3-8-16(15)20)10-18(24)22-14-6-4-5-13(9-14)11-21/h2-9H,10H2,1H3,(H,22,24).
What are the key properties of 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide?
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide has a molecular weight of 351.79 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 110428440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).