5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C17H16N2O2 — CID 167930152

IUPAC5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C2CC(C(=O)Nc3ccccc3)=NO2)cc1
InChIInChI=1S/C17H16N2O2/c1-12-7-9-13(10-8-12)16-11-15(19-21-16)17(20)18-14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,18,20)
InChIKeyHZPAUJWJNCEZBU-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.45
Rot. Bonds3

About 5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 167930152) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID167930152
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C2CC(C(=O)Nc3ccccc3)=NO2)cc1
InChIInChI=1S/C17H16N2O2/c1-12-7-9-13(10-8-12)16-11-15(19-21-16)17(20)18-14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,18,20)
InChIKeyHZPAUJWJNCEZBU-UHFFFAOYSA-N
XLogP3.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94638684
(5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95171775
5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167979333
N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 102559060
5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167954246
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55865249
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60525056
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 49033506
5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167898515
(5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
CID 95062084
(5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538881
N-(2-bromo-4,5-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 71886872

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 167930152) is 5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is Cc1ccc(C2CC(C(=O)Nc3ccccc3)=NO2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is HZPAUJWJNCEZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-7-9-13(10-8-12)16-11-15(19-21-16)17(20)18-14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,18,20).
What are the key properties of 5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167930152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).