N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide

C19H17FN2O2 — CID 91954603

IUPACN-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCc1cccc(F)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H17FN2O2/c20-16-10-4-6-14(12-16)7-5-11-21-19(23)17-13-18(24-22-17)15-8-2-1-3-9-15/h1-4,6,8-10,12-13H,5,7,11H2,(H,21,23)
InChIKeyGPGCAMYBMOIPAK-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.84
Rot. Bonds6

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

N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 91954603) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID91954603
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCc1cccc(F)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H17FN2O2/c20-16-10-4-6-14(12-16)7-5-11-21-19(23)17-13-18(24-22-17)15-8-2-1-3-9-15/h1-4,6,8-10,12-13H,5,7,11H2,(H,21,23)
InChIKeyGPGCAMYBMOIPAK-UHFFFAOYSA-N
XLogP3.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 91954603) is N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCCCc1cccc(F)c1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is GPGCAMYBMOIPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-16-10-4-6-14(12-16)7-5-11-21-19(23)17-13-18(24-22-17)15-8-2-1-3-9-15/h1-4,6,8-10,12-13H,5,7,11H2,(H,21,23).
What are the key properties of N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91954603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).