N-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide

C19H17FN2O2 — CID 53161718

IUPACN-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
SMILESO=C(CCc1conc1-c1ccccc1)NCc1ccccc1F
InChIInChI=1S/C19H17FN2O2/c20-17-9-5-4-8-15(17)12-21-18(23)11-10-16-13-24-22-19(16)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,21,23)
InChIKeyDZPHAESIUQIKQY-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.73
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide

N-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide (PubChem CID 53161718) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
PubChem CID53161718
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
SMILESO=C(CCc1conc1-c1ccccc1)NCc1ccccc1F
InChIInChI=1S/C19H17FN2O2/c20-17-9-5-4-8-15(17)12-21-18(23)11-10-16-13-24-22-19(16)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,21,23)
InChIKeyDZPHAESIUQIKQY-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide (CID 53161718) is N-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide is O=C(CCc1conc1-c1ccccc1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is DZPHAESIUQIKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-17-9-5-4-8-15(17)12-21-18(23)11-10-16-13-24-22-19(16)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,21,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide?
N-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 324.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 53161718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).