N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide

C19H17FN2O2 — CID 59170223

IUPACN-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2oncc2C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H17FN2O2/c1-12-3-5-15(6-4-12)18-17(11-21-24-18)19(23)22-13(2)14-7-9-16(20)10-8-14/h3-11,13H,1-2H3,(H,22,23)
InChIKeySURILDWZJUBYSB-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide

N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 59170223) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID59170223
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2oncc2C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H17FN2O2/c1-12-3-5-15(6-4-12)18-17(11-21-24-18)19(23)22-13(2)14-7-9-16(20)10-8-14/h3-11,13H,1-2H3,(H,22,23)
InChIKeySURILDWZJUBYSB-UHFFFAOYSA-N
XLogP4.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 110406819
5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
CID 110647364
6-(4-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 93070978
N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 850733
2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 81355507
5-(4-methylphenyl)-N-(2-phenylpropyl)-1,2-oxazole-4-carboxamide
CID 59170277
N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide
CID 62513143
N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110647434
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110650714
N-(2-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 110649553
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 95087279

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide (CID 59170223) is N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide is Cc1ccc(-c2oncc2C(=O)NC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is SURILDWZJUBYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-12-3-5-15(6-4-12)18-17(11-21-24-18)19(23)22-13(2)14-7-9-16(20)10-8-14/h3-11,13H,1-2H3,(H,22,23).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 59170223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).