N-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide

C18H15ClN2O2 — CID 155544318

IUPACN-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1coc(-c2ccccc2)n1
InChIInChI=1S/C18H15ClN2O2/c19-15-9-5-4-6-13(15)10-11-20-17(22)16-12-23-18(21-16)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,20,22)
InChIKeyFPTADPXWLUTFJO-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.97
Rot. Bonds5

About N-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide

N-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 155544318) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID155544318
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1coc(-c2ccccc2)n1
InChIInChI=1S/C18H15ClN2O2/c19-15-9-5-4-6-13(15)10-11-20-17(22)16-12-23-18(21-16)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,20,22)
InChIKeyFPTADPXWLUTFJO-UHFFFAOYSA-N
XLogP3.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 155544318) is N-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide is O=C(NCCc1ccccc1Cl)c1coc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is FPTADPXWLUTFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-15-9-5-4-6-13(15)10-11-20-17(22)16-12-23-18(21-16)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,20,22).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 155544318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).