3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide

C18H17FN2O3 — CID 53161766

IUPAC3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2conc2-c2ccc(F)cc2)o1
InChIInChI=1S/C18H17FN2O3/c1-12-2-8-16(24-12)10-20-17(22)9-5-14-11-23-21-18(14)13-3-6-15(19)7-4-13/h2-4,6-8,11H,5,9-10H2,1H3,(H,20,22)
InChIKeyCAJXEJQIQSZOTB-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.63
Rot. Bonds6

About 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide

3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 53161766) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID53161766
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2conc2-c2ccc(F)cc2)o1
InChIInChI=1S/C18H17FN2O3/c1-12-2-8-16(24-12)10-20-17(22)9-5-14-11-23-21-18(14)13-3-6-15(19)7-4-13/h2-4,6-8,11H,5,9-10H2,1H3,(H,20,22)
InChIKeyCAJXEJQIQSZOTB-UHFFFAOYSA-N
XLogP3.63
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 53161766) is 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CNC(=O)CCc2conc2-c2ccc(F)cc2)o1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is CAJXEJQIQSZOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-12-2-8-16(24-12)10-20-17(22)9-5-14-11-23-21-18(14)13-3-6-15(19)7-4-13/h2-4,6-8,11H,5,9-10H2,1H3,(H,20,22).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 328.34 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 53161766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).