N-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

C18H15FN2O2 — CID 3571867

IUPACN-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1
InChIInChI=1S/C18H15FN2O2/c1-2-12-3-9-15(10-4-12)20-18(22)16-11-17(23-21-16)13-5-7-14(19)8-6-13/h3-11H,2H2,1H3,(H,20,22)
InChIKeyDDQLZEBWODPOOB-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.30
Rot. Bonds4

About N-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

N-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3571867) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID3571867
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1
InChIInChI=1S/C18H15FN2O2/c1-2-12-3-9-15(10-4-12)20-18(22)16-11-17(23-21-16)13-5-7-14(19)8-6-13/h3-11H,2H2,1H3,(H,20,22)
InChIKeyDDQLZEBWODPOOB-UHFFFAOYSA-N
XLogP4.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 3571867) is N-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is CCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DDQLZEBWODPOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-2-12-3-9-15(10-4-12)20-18(22)16-11-17(23-21-16)13-5-7-14(19)8-6-13/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of N-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3571867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).