N-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C18H13N3O2 — CID 2084184

IUPACN-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H13N3O2/c1-12-16(17(21-23-12)14-7-3-2-4-8-14)18(22)20-15-9-5-6-13(10-15)11-19/h2-10H,1H3,(H,20,22)
InChIKeyXFZWOUPFRVMYHS-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.77
Rot. Bonds3

About N-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2084184) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2084184
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC NameN-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H13N3O2/c1-12-16(17(21-23-12)14-7-3-2-4-8-14)18(22)20-15-9-5-6-13(10-15)11-19/h2-10H,1H3,(H,20,22)
InChIKeyXFZWOUPFRVMYHS-UHFFFAOYSA-N
XLogP3.77
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 2084184) is N-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XFZWOUPFRVMYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-12-16(17(21-23-12)14-7-3-2-4-8-14)18(22)20-15-9-5-6-13(10-15)11-19/h2-10H,1H3,(H,20,22).
What are the key properties of N-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2084184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).