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

C18H21FN2O2 — CID 53161762

IUPACN-cyclohexyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESO=C(CCc1conc1-c1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C18H21FN2O2/c19-15-9-6-13(7-10-15)18-14(12-23-21-18)8-11-17(22)20-16-4-2-1-3-5-16/h6-7,9-10,12,16H,1-5,8,11H2,(H,20,22)
InChIKeyBPQWOSPWQDEXEP-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.86
Rot. Bonds5

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

N-cyclohexyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 53161762) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID53161762
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-cyclohexyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESO=C(CCc1conc1-c1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C18H21FN2O2/c19-15-9-6-13(7-10-15)18-14(12-23-21-18)8-11-17(22)20-16-4-2-1-3-5-16/h6-7,9-10,12,16H,1-5,8,11H2,(H,20,22)
InChIKeyBPQWOSPWQDEXEP-UHFFFAOYSA-N
XLogP3.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (CID 53161762) is N-cyclohexyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is O=C(CCc1conc1-c1ccc(F)cc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is BPQWOSPWQDEXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-15-9-6-13(7-10-15)18-14(12-23-21-18)8-11-17(22)20-16-4-2-1-3-5-16/h6-7,9-10,12,16H,1-5,8,11H2,(H,20,22).
What are the key properties of N-cyclohexyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
N-cyclohexyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 316.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 53161762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).