5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide

C21H19FN2O2 — CID 86841042

IUPAC5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C21H19FN2O2/c22-17-8-4-5-14(13-17)11-12-23-20(25)18-19(15-9-10-15)26-21(24-18)16-6-2-1-3-7-16/h1-8,13,15H,9-12H2,(H,23,25)
InChIKeyIEEKPBKZGFMNMS-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.33
Rot. Bonds6

About 5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 86841042) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID86841042
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C21H19FN2O2/c22-17-8-4-5-14(13-17)11-12-23-20(25)18-19(15-9-10-15)26-21(24-18)16-6-2-1-3-7-16/h1-8,13,15H,9-12H2,(H,23,25)
InChIKeyIEEKPBKZGFMNMS-UHFFFAOYSA-N
XLogP4.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 122476852
N-[2-(3-fluorophenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 29292797
5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392448
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63615886
5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 86967765
N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86903484
5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 62586319
5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 98293867
N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841240
N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86840936
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 18118749

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 86841042) is 5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide is O=C(NCCc1cccc(F)c1)c1nc(-c2ccccc2)oc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is IEEKPBKZGFMNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-17-8-4-5-14(13-17)11-12-23-20(25)18-19(15-9-10-15)26-21(24-18)16-6-2-1-3-7-16/h1-8,13,15H,9-12H2,(H,23,25).
What are the key properties of 5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86841042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).