N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide

C18H16N2O2 — CID 100771775

IUPACN-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2conc2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-2-13-8-10-15(11-9-13)19-18(21)16-12-22-20-17(16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,21)
InChIKeyYSIHGFFZTDVHSB-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.16
Rot. Bonds4

About N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide

N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 100771775) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID100771775
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2conc2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-2-13-8-10-15(11-9-13)19-18(21)16-12-22-20-17(16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,21)
InChIKeyYSIHGFFZTDVHSB-UHFFFAOYSA-N
XLogP4.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 100771775) is N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide is CCc1ccc(NC(=O)c2conc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is YSIHGFFZTDVHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-13-8-10-15(11-9-13)19-18(21)16-12-22-20-17(16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,21).
What are the key properties of N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100771775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).